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

Systemtic Name: tert-butyl (3S)-3-[4-[(4-methylphenyl)carbamoyl]piperidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[4-(p-tolylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[4-[(4-methylanilino)-oxomethyl]-1-piperidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-[(4-methylphenyl)carbamoyl]piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[4-(p-tolylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)[C@@H]3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

InChI

InChI=1S/C28H35N3O4/c1-19-9-11-23(12-10-19)29-25(32)20-13-15-30(16-14-20)26(33)24-17-21-7-5-6-8-22(21)18-31(24)27(34)35-28(2,3)4/h5-12,20,24H,13-18H2,1-4H3,(H,29,32)/t24-/m0/s1