4-butyl-1-methyl-3-[[4-(6-oxidanylidene-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid

Systemtic Name: 4-butyl-1-methyl-3-[[4-(6-oxidanylidene-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid Openeye Name: 4-butyl-1-methyl-3-[[4-[6-oxo-1-(4-pyridyl)-2,3-dihydropyridin-4-yl]-1-naphthyl]carbamoylamino]pyrrole-2-carboxylic acid CAS Name: 4-butyl-1-methyl-3-[[oxo-[[4-(6-oxo-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)-1-naphthalenyl]amino]methyl]amino]-2-pyrrolecarboxylic acid IUPAC Name: 4-butyl-1-methyl-3-[[4-(6-oxo-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid Traditional Name: 4-butyl-3-[[4-[6-keto-1-(4-pyridyl)-2,3-dihydropyridin-4-yl]-1-naphthyl]carbamoylamino]-1-methyl-pyrrole-2-carboxylic acid Formula: C31H31N5O4 MolecularWeight: 537.60894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5)C(=O)O)C

Isomeric SMILES

CCCCC1=CN(C(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5)C(=O)O)C

InChI

InChI=1S/C31H31N5O4/c1-3-4-7-21-19-35(2)29(30(38)39)28(21)34-31(40)33-26-11-10-23(24-8-5-6-9-25(24)26)20-14-17-36(27(37)18-20)22-12-15-32-16-13-22/h5-6,8-13,15-16,18-19H,3-4,7,14,17H2,1-2H3,(H,38,39)(H2,33,34,40)