methyl 1-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H29N3O4/c1-34-27(33)23-17-30(24-9-5-4-8-22(23)24)18-25(31)28-13-11-20(12-14-28)26(32)29-15-10-19-6-2-3-7-21(19)16-29/h2-9,17,20H,10-16,18H2,1H3