ethyl 2-[(9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenzo[e]isoindol-2-yl]-3-(3-acetyloxyphenyl)propanoate

Systemtic Name: ethyl 2-[(9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenzo[e]isoindol-2-yl]-3-(3-acetyloxyphenyl)propanoate Openeye Name: ethyl 2-[(9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenzo[e]isoindol-2-yl]-3-(3-acetoxyphenyl)propanoate CAS Name: 2-[(9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenzo[e]isoindol-2-yl]-3-(3-acetyloxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenzo[e]isoindol-2-yl]-3-(3-acetyloxyphenyl)propanoate Traditional Name: 2-[(9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenz[e]isoindol-2-yl]-3-(3-acetoxyphenyl)propionic acid ethyl ester Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC=C1)OC(=O)C)N2C=C3C=CC4C(CCCC4(C3=C2)C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC=C1)OC(=O)C)N2C=C3C=CC4[C@@](C3=C2)(CCCC4(C)C)C

InChI

InChI=1S/C28H35NO4/c1-6-32-26(31)24(16-20-9-7-10-22(15-20)33-19(2)30)29-17-21-11-12-25-27(3,4)13-8-14-28(25,5)23(21)18-29/h7,9-12,15,17-18,24-25H,6,8,13-14,16H2,1-5H3/t24?,25?,28-/m1/s1