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

Systemtic Name: 5-tert-butyl-1-methyl-3-[[4-(3-morpholin-4-ylcyclohexen-1-yl)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid Openeye Name: 5-tert-butyl-1-methyl-3-[[4-(3-morpholinocyclohexen-1-yl)-1-naphthyl]carbamoylamino]pyrrole-2-carboxylic acid CAS Name: 5-tert-butyl-1-methyl-3-[[[[4-[3-(4-morpholinyl)-1-cyclohexenyl]-1-naphthalenyl]amino]-oxomethyl]amino]-2-pyrrolecarboxylic acid IUPAC Name: 5-tert-butyl-1-methyl-3-[[4-(3-morpholin-4-ylcyclohexen-1-yl)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid Traditional Name: 5-tert-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:

CC(C)(C)C1=CC(=C(N1C)C(=O)O)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(CCC4)N5CCOCC5

Isomeric SMILES

CC(C)(C)C1=CC(=C(N1C)C(=O)O)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(CCC4)N5CCOCC5

InChI

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