2-[3-naphthalen-2-yl-2-(piperidin-4-ylcarbonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid

Systemtic Name: 2-[3-naphthalen-2-yl-2-(piperidin-4-ylcarbonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Openeye Name: 2-[3-(2-naphthyl)-2-(piperidine-4-carbonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid CAS Name: 2-[3-(2-naphthalenyl)-1-oxo-2-[[oxo(4-piperidinyl)methyl]amino]propyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid IUPAC Name: 2-[3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Traditional Name: 2-[2-(isonipecotoylamino)-3-(2-naphthyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N4CCC5=C(C4)C=CC(=C5)C(=O)O

Isomeric SMILES

C1CNCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N4CCC5=C(C4)C=CC(=C5)C(=O)O

InChI

InChI=1S/C29H31N3O4/c33-27(21-9-12-30-13-10-21)31-26(16-19-5-6-20-3-1-2-4-22(20)15-19)28(34)32-14-11-23-17-24(29(35)36)7-8-25(23)18-32/h1-8,15,17,21,26,30H,9-14,16,18H2,(H,31,33)(H,35,36)