(3S)-3-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: (3S)-3-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: (3S)-3-[(1-benzyl-4-piperidyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: (3S)-3-[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: (3S)-3-[(1-benzylpiperidin-4-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: (3S)-3-[(1-benzyl-4-piperidyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2CC3=CC=CC=C3CN2C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c27-22(21-14-18-8-4-5-9-19(18)16-26(21)23(28)29)24-20-10-12-25(13-11-20)15-17-6-2-1-3-7-17/h1-9,20-21H,10-16H2,(H,24,27)(H,28,29)/t21-/m0/s1