2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(1,2,3,4-tetrazol-1-yl)cyclobutane-1-carboxylic acid

Systemtic Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(1,2,3,4-tetrazol-1-yl)cyclobutane-1-carboxylic acid Openeye Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(tetrazol-1-yl)cyclobutanecarboxylic acid CAS Name: 2,3-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-4-(1-tetrazolyl)-1-cyclobutanecarboxylic acid IUPAC Name: 2,3-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]-4-(tetrazol-1-yl)cyclobutane-1-carboxylic acid Traditional Name: 2,3-bis[(4-phenoxybenzyl)-propyl-carbamoyl]-4-(tetrazol-1-yl)cyclobutanecarboxylic acid Formula: C40H42N6O6 MolecularWeight: 702.79808

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)N4C=NN=N4)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)N4C=NN=N4)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C40H42N6O6/c1-3-23-44(25-28-15-19-32(20-16-28)51-30-11-7-5-8-12-30)38(47)34-35(37(36(34)40(49)50)46-27-41-42-43-46)39(48)45(24-4-2)26-29-17-21-33(22-18-29)52-31-13-9-6-10-14-31/h5-22,27,34-37H,3-4,23-26H2,1-2H3,(H,49,50)