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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1OC(=O)C)N2C=C3C=CC4C(CCCC4(C3=C2)C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1OC(=O)C)N2C=C3C=CC4[C@@](C3=C2)(CCCC4(C)C)C

InChI

InChI=1S/C28H35NO4/c1-6-32-26(31)23(16-20-10-7-8-11-24(20)33-19(2)30)29-17-21-12-13-25-27(3,4)14-9-15-28(25,5)22(21)18-29/h7-8,10-13,17-18,23,25H,6,9,14-16H2,1-5H3/t23?,25?,28-/m1/s1