tert-butyl 3-[4-[(4-methylphenyl)methylcarbamoyl]piperidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[4-[(4-methylphenyl)methylcarbamoyl]piperidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[4-(p-tolylmethylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[4-[[(4-methylphenyl)methylamino]-oxomethyl]-1-piperidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[4-[(4-methylbenzyl)carbamoyl]piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

InChI

InChI=1S/C29H37N3O4/c1-20-9-11-21(12-10-20)18-30-26(33)22-13-15-31(16-14-22)27(34)25-17-23-7-5-6-8-24(23)19-32(25)28(35)36-29(2,3)4/h5-12,22,25H,13-19H2,1-4H3,(H,30,33)