[6-[1-(azepan-1-yl)ethyl]-5-(4-methylphenyl)carbonyloxy-naphthalen-1-yl] 4-methylbenzoate

Systemtic Name: [6-[1-(azepan-1-yl)ethyl]-5-(4-methylphenyl)carbonyloxy-naphthalen-1-yl] 4-methylbenzoate Openeye Name: [6-[1-(azepan-1-yl)ethyl]-5-(4-methylbenzoyl)oxy-1-naphthyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [6-[1-(1-azepanyl)ethyl]-5-[(4-methylphenyl)-oxomethoxy]-1-naphthalenyl] ester IUPAC Name: [6-[1-(azepan-1-yl)ethyl]-5-(4-methylbenzoyl)oxynaphthalen-1-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [6-[1-(azepan-1-yl)ethyl]-5-p-toluoyloxy-1-naphthyl] ester Formula: C34H35NO4 MolecularWeight: 521.646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C=CC(=C3OC(=O)C4=CC=C(C=C4)C)C(C)N5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C=CC(=C3OC(=O)C4=CC=C(C=C4)C)C(C)N5CCCCCC5

InChI

InChI=1S/C34H35NO4/c1-23-11-15-26(16-12-23)33(36)38-31-10-8-9-30-29(31)20-19-28(25(3)35-21-6-4-5-7-22-35)32(30)39-34(37)27-17-13-24(2)14-18-27/h8-20,25H,4-7,21-22H2,1-3H3