methyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H29N3O3/c1-30-23(28)21-8-4-5-9-22(21)25-24(29)27-14-10-18(11-15-27)16-26-13-12-19-6-2-3-7-20(19)17-26/h2-9,18H,10-17H2,1H3,(H,25,29)