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

Systemtic Name: ethyl 2-[(9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenzo[e]isoindol-2-yl]-3-(3-hydroxyphenyl)propanoate Openeye Name: ethyl 2-[(9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenzo[e]isoindol-2-yl]-3-(3-hydroxyphenyl)propanoate CAS Name: 2-[(9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenzo[e]isoindol-2-yl]-3-(3-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenzo[e]isoindol-2-yl]-3-(3-hydroxyphenyl)propanoate Traditional Name: 2-[(9aS)-6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenz[e]isoindol-2-yl]-3-(3-hydroxyphenyl)propionic acid ethyl ester Formula: C26H33NO3 MolecularWeight: 407.54512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO3/c1-5-30-24(29)22(15-18-8-6-9-20(28)14-18)27-16-19-10-11-23-25(2,3)12-7-13-26(23,4)21(19)17-27/h6,8-11,14,16-17,22-23,28H,5,7,12-13,15H2,1-4H3/t22?,23?,26-/m1/s1