[4-methyl-2-(phenylcarbonyl)spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-6-yl] benzoate

Systemtic Name: [4-methyl-2-(phenylcarbonyl)spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-6-yl] benzoate Openeye Name: (2-benzoyl-4-methyl-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-6-yl) benzoate CAS Name: benzoic acid (2-benzoyl-4-methyl-6-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]yl) ester IUPAC Name: (2-benzoyl-4-methylspiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-6-yl) benzoate Traditional Name: benzoic acid (2-benzoyl-4-methyl-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-6-yl) ester Formula: C29H29NO3 MolecularWeight: 439.54546

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2(CCCCC2)C3=C1C=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1CN(C2(CCCCC2)C3=C1C=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H29NO3/c1-21-20-30(27(31)22-11-5-2-6-12-22)29(17-9-4-10-18-29)26-16-15-24(19-25(21)26)33-28(32)23-13-7-3-8-14-23/h2-3,5-8,11-16,19,21H,4,9-10,17-18,20H2,1H3