ethyl (3R,5S)-5-[(4-methoxyphenyl)methylamino]-2,2-dimethyl-3-phenyl-oct-7-enoate

Systemtic Name: ethyl (3R,5S)-5-[(4-methoxyphenyl)methylamino]-2,2-dimethyl-3-phenyl-oct-7-enoate Openeye Name: ethyl (3R,5S)-5-[(4-methoxyphenyl)methylamino]-2,2-dimethyl-3-phenyl-oct-7-enoate CAS Name: (3R,5S)-5-[(4-methoxyphenyl)methylamino]-2,2-dimethyl-3-phenyl-7-octenoic acid ethyl ester IUPAC Name: ethyl (3R,5S)-5-[(4-methoxyphenyl)methylamino]-2,2-dimethyl-3-phenyloct-7-enoate Traditional Name: (3R,5S)-2,2-dimethyl-5-(p-anisylamino)-3-phenyl-oct-7-enoic acid ethyl ester Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(CC(CC=C)NCC1=CC=C(C=C1)OC)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C)(C)[C@H](C[C@H](CC=C)NCC1=CC=C(C=C1)OC)C2=CC=CC=C2

InChI

InChI=1S/C26H35NO3/c1-6-11-22(27-19-20-14-16-23(29-5)17-15-20)18-24(21-12-9-8-10-13-21)26(3,4)25(28)30-7-2/h6,8-10,12-17,22,24,27H,1,7,11,18-19H2,2-5H3/t22-,24+/m0/s1