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

Systemtic Name: ethyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H31N3O3/c1-2-31-24(29)21-8-5-9-23(16-21)26-25(30)28-14-10-19(11-15-28)17-27-13-12-20-6-3-4-7-22(20)18-27/h3-9,16,19H,2,10-15,17-18H2,1H3,(H,26,30)