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

Systemtic Name: tert-butyl (3S)-3-[4-[(2,4-dimethylphenyl)carbamoyl]piperidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[4-[(2,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[4-[(2,4-dimethylanilino)-oxomethyl]-1-piperidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-[(2,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[4-[(2,4-dimethylphenyl)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)NC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(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)C

InChI

InChI=1S/C29H37N3O4/c1-19-10-11-24(20(2)16-19)30-26(33)21-12-14-31(15-13-21)27(34)25-17-22-8-6-7-9-23(22)18-32(25)28(35)36-29(3,4)5/h6-11,16,21,25H,12-15,17-18H2,1-5H3,(H,30,33)/t25-/m0/s1