4-butyl-1-methyl-3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid

Systemtic Name: 4-butyl-1-methyl-3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid Openeye Name: 4-butyl-1-methyl-3-[[4-[6-(morpholinomethyl)-3-pyridyl]-1-naphthyl]carbamoylamino]pyrrole-2-carboxylic acid CAS Name: 4-butyl-1-methyl-3-[[[[4-[6-(4-morpholinylmethyl)-3-pyridinyl]-1-naphthalenyl]amino]-oxomethyl]amino]-2-pyrrolecarboxylic acid IUPAC Name: 4-butyl-1-methyl-3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid Traditional Name: 4-butyl-1-methyl-3-[[4-[6-(morpholinomethyl)-3-pyridyl]-1-naphthyl]carbamoylamino]pyrrole-2-carboxylic acid Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CN=C(C=C4)CN5CCOCC5)C(=O)O)C

Isomeric SMILES

CCCCC1=CN(C(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CN=C(C=C4)CN5CCOCC5)C(=O)O)C

InChI

InChI=1S/C31H35N5O4/c1-3-4-7-22-19-35(2)29(30(37)38)28(22)34-31(39)33-27-13-12-24(25-8-5-6-9-26(25)27)21-10-11-23(32-18-21)20-36-14-16-40-17-15-36/h5-6,8-13,18-19H,3-4,7,14-17,20H2,1-2H3,(H,37,38)(H2,33,34,39)