[[1-(dimethylaminomethyl)cyclohexyl]-(3-methylphenyl)methyl] 4-nitrobenzoate

Systemtic Name: [[1-(dimethylaminomethyl)cyclohexyl]-(3-methylphenyl)methyl] 4-nitrobenzoate Openeye Name: [[1-(dimethylaminomethyl)cyclohexyl]-(m-tolyl)methyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [[1-(dimethylaminomethyl)cyclohexyl]-(3-methylphenyl)methyl] ester IUPAC Name: [[1-(dimethylaminomethyl)cyclohexyl]-(3-methylphenyl)methyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [[1-(dimethylaminomethyl)cyclohexyl]-(m-tolyl)methyl] ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2(CCCCC2)CN(C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C(C2(CCCCC2)CN(C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O4/c1-18-8-7-9-20(16-18)22(24(17-25(2)3)14-5-4-6-15-24)30-23(27)19-10-12-21(13-11-19)26(28)29/h7-13,16,22H,4-6,14-15,17H2,1-3H3