2-[3-naphthalen-2-yl-2-(piperidin-4-ylcarbonylamino)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid

Systemtic Name: 2-[3-naphthalen-2-yl-2-(piperidin-4-ylcarbonylamino)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid Openeye Name: 2-[3-(2-naphthyl)-2-(piperidine-4-carbonylamino)propanoyl]isoindoline-5-carboxylic acid CAS Name: 2-[3-(2-naphthalenyl)-1-oxo-2-[[oxo(4-piperidinyl)methyl]amino]propyl]-1,3-dihydroisoindole-5-carboxylic acid IUPAC Name: 2-[3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid Traditional Name: 2-[2-(isonipecotoylamino)-3-(2-naphthyl)propanoyl]isoindoline-5-carboxylic acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N4CC5=C(C4)C=C(C=C5)C(=O)O

Isomeric SMILES

C1CNCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N4CC5=C(C4)C=C(C=C5)C(=O)O

InChI

InChI=1S/C28H29N3O4/c32-26(20-9-11-29-12-10-20)30-25(14-18-5-6-19-3-1-2-4-21(19)13-18)27(33)31-16-23-8-7-22(28(34)35)15-24(23)17-31/h1-8,13,15,20,25,29H,9-12,14,16-17H2,(H,30,32)(H,34,35)