3-[3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxidanylidene-pyrrolidin-1-yl]-3-quinolin-3-yl-propanoic acid

Systemtic Name: 3-[3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxidanylidene-pyrrolidin-1-yl]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxo-pyrrolidin-1-yl]-3-(3-quinolyl)propanoic acid CAS Name: 3-[3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxo-1-pyrrolidinyl]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[2-keto-3-[3-(1,8-naphthyridin-2-yl)propyl]pyrrolidino]-3-(3-quinolyl)propionic acid Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CCCC2=NC3=C(C=CC=N3)C=C2)C(CC(=O)O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(C(=O)C1CCCC2=NC3=C(C=CC=N3)C=C2)C(CC(=O)O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H26N4O3/c32-25(33)16-24(21-15-20-5-1-2-9-23(20)29-17-21)31-14-12-19(27(31)34)6-3-8-22-11-10-18-7-4-13-28-26(18)30-22/h1-2,4-5,7,9-11,13,15,17,19,24H,3,6,8,12,14,16H2,(H,32,33)