4-butyl-1-methyl-3-[[4-(3-morpholin-4-ylcyclohexen-1-yl)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid

Systemtic Name: 4-butyl-1-methyl-3-[[4-(3-morpholin-4-ylcyclohexen-1-yl)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid Openeye Name: 4-butyl-1-methyl-3-[[4-(3-morpholinocyclohexen-1-yl)-1-naphthyl]carbamoylamino]pyrrole-2-carboxylic acid CAS Name: 4-butyl-1-methyl-3-[[[[4-[3-(4-morpholinyl)-1-cyclohexenyl]-1-naphthalenyl]amino]-oxomethyl]amino]-2-pyrrolecarboxylic acid IUPAC Name: 4-butyl-1-methyl-3-[[4-(3-morpholin-4-ylcyclohexen-1-yl)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid Traditional Name: 4-butyl-1-methyl-3-[[4-(3-morpholinocyclohexen-1-yl)-1-naphthyl]carbamoylamino]pyrrole-2-carboxylic acid Formula: C31H38N4O4 MolecularWeight: 530.65782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(CCC4)N5CCOCC5)C(=O)O)C

Isomeric SMILES

CCCCC1=CN(C(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(CCC4)N5CCOCC5)C(=O)O)C

InChI

InChI=1S/C31H38N4O4/c1-3-4-8-22-20-34(2)29(30(36)37)28(22)33-31(38)32-27-14-13-24(25-11-5-6-12-26(25)27)21-9-7-10-23(19-21)35-15-17-39-18-16-35/h5-6,11-14,19-20,23H,3-4,7-10,15-18H2,1-2H3,(H,36,37)(H2,32,33,38)