[13-methyl-16-(4-methylpentan-2-yl)-12,15,16,17-tetrahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzoate

Systemtic Name: [13-methyl-16-(4-methylpentan-2-yl)-12,15,16,17-tetrahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzoate Openeye Name: [16-(1,3-dimethylbutyl)-13-methyl-12,15,16,17-tetrahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [13-methyl-16-(4-methylpentan-2-yl)-12,15,16,17-tetrahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [13-methyl-16-(4-methylpentan-2-yl)-12,15,16,17-tetrahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [16-(1,3-dimethylbutyl)-13-methyl-12,15,16,17-tetrahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C32H36O2 MolecularWeight: 452.62704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C4=CCC5(CC(CC5=C4C=C3)C(C)CC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C4=CCC5(CC(CC5=C4C=C3)C(C)CC(C)C)C

InChI

InChI=1S/C32H36O2/c1-20(2)16-22(4)25-18-30-29-12-10-24-17-26(34-31(33)23-8-6-21(3)7-9-23)11-13-27(24)28(29)14-15-32(30,5)19-25/h6-14,17,20,22,25H,15-16,18-19H2,1-5H3