5-tert-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: 5-tert-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: 5-tert-butyl-1-methyl-3-[[4-[6-oxo-1-(4-pyridyl)-2,3-dihydropyridin-4-yl]-1-naphthyl]carbamoylamino]pyrrole-2-carboxylic acid CAS Name: 5-tert-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: 5-tert-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: 5-tert-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:

CC(C)(C)C1=CC(=C(N1C)C(=O)O)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5

Isomeric SMILES

CC(C)(C)C1=CC(=C(N1C)C(=O)O)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5

InChI

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