5-tert-butyl-1-[[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-[[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-[[4-[6-oxo-1-(4-pyridyl)-2,3-dihydropyridin-4-yl]-1-naphthyl]carbamoylamino]pyrrole-2-carboxylic acid CAS Name: 5-tert-butyl-1-[[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-[[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-1-[[4-[6-keto-1-(4-pyridyl)-2,3-dihydropyridin-4-yl]-1-naphthyl]carbamoylamino]pyrrole-2-carboxylic acid Formula: C30H29N5O4 MolecularWeight: 523.58236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(N1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(N1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5)C(=O)O

InChI

InChI=1S/C30H29N5O4/c1-30(2,3)26-11-10-25(28(37)38)35(26)33-29(39)32-24-9-8-21(22-6-4-5-7-23(22)24)19-14-17-34(27(36)18-19)20-12-15-31-16-13-20/h4-13,15-16,18H,14,17H2,1-3H3,(H,37,38)(H2,32,33,39)