methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]carbamoyl]benzoate

Systemtic Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]carbamoyl]benzoate Openeye Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]carbamoyl]benzoate CAS Name: 2-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]carbamoyl]benzoate Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2C(=O)OC)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2C(=O)OC)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H31N3O3/c1-30(2)23-14-12-21(13-15-23)26(31-17-16-20-8-4-5-9-22(20)19-31)18-29-27(32)24-10-6-7-11-25(24)28(33)34-3/h4-15,26H,16-19H2,1-3H3,(H,29,32)