(1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthren-1-yl)methyl benzoate

Systemtic Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthren-1-yl)methyl benzoate Openeye Name: (7-isopropyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthren-1-yl)methyl benzoate CAS Name: benzoic acid (1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthren-1-yl)methyl ester IUPAC Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthren-1-yl)methyl benzoate Traditional Name: benzoic acid (7-isopropyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthren-1-yl)methyl ester Formula: C27H32O2 MolecularWeight: 388.54178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3C=C2)(C)COC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3C=C2)(C)COC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H32O2/c1-19(2)21-11-13-23-22(17-21)12-14-24-26(3,15-8-16-27(23,24)4)18-29-25(28)20-9-6-5-7-10-20/h5-7,9-14,17,19,24H,8,15-16,18H2,1-4H3