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

Systemtic Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carbonyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)N2CCC(CC2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

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

InChI

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