3-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]phenol; (2R,3S)-3-(3-oxidanyl-4-phenyl-butyl)-2-[6-(2H-1,2,3,4-tetrazol-5-yl)hexyl]cyclopentan-1-one

Systemtic Name: 3-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]phenol; (2R,3S)-3-(3-oxidanyl-4-phenyl-butyl)-2-[6-(2H-1,2,3,4-tetrazol-5-yl)hexyl]cyclopentan-1-one Openeye Name: 3-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]phenol; (2R,3S)-3-(3-hydroxy-4-phenyl-butyl)-2-[6-(2H-tetrazol-5-yl)hexyl]cyclopentanone CAS Name: 3-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]phenol; (2R,3S)-3-(3-hydroxy-4-phenylbutyl)-2-[6-(2H-tetrazol-5-yl)hexyl]-1-cyclopentanone IUPAC Name: 3-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]phenol; (2R,3S)-3-(3-hydroxy-4-phenylbutyl)-2-[6-(2H-tetrazol-5-yl)hexyl]cyclopentan-1-one Traditional Name: 3-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]phenol; (2R,3S)-3-(3-hydroxy-4-phenyl-butyl)-2-[6-(2H-tetrazol-5-yl)hexyl]cyclopentanone Formula: C48H61N5O4 MolecularWeight: 772.02904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC(=CC=C2)O)C3=CC=CC=C3.C1CC(=O)C(C1CCC(CC2=CC=CC=C2)O)CCCCCCC3=NNN=N3

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCCN(C)C)\C2=CC(=CC=C2)O)/C3=CC=CC=C3.C1CC(=O)[C@@H]([C@H]1CCC(CC2=CC=CC=C2)O)CCCCCCC3=NNN=N3

InChI

InChI=1S/C26H29NO2.C22H32N4O2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3;27-19(16-17-8-4-3-5-9-17)14-12-18-13-15-21(28)20(18)10-6-1-2-7-11-22-23-25-26-24-22/h5-16,19,28H,4,17-18H2,1-3H3;3-5,8-9,18-20,27H,1-2,6-7,10-16H2,(H,23,24,25,26)/b26-25+;/t;18-,19?,20+/m.0/s1