tert-butyl 3-[[1-[4-(2-methoxyphenyl)piperidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[1-[4-(2-methoxyphenyl)piperidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[1-benzyl-2-[4-(2-methoxyphenyl)-1-piperidyl]-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[1-[4-(2-methoxyphenyl)-1-piperidinyl]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-[4-(2-methoxyphenyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[1-benzyl-2-keto-2-[4-(2-methoxyphenyl)piperidino]ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C36H43N3O5 MolecularWeight: 597.74372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCC(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCC(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C36H43N3O5/c1-36(2,3)44-35(42)39-24-28-15-9-8-14-27(28)23-31(39)33(40)37-30(22-25-12-6-5-7-13-25)34(41)38-20-18-26(19-21-38)29-16-10-11-17-32(29)43-4/h5-17,26,30-31H,18-24H2,1-4H3,(H,37,40)