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

Systemtic Name: 5-tert-butyl-1-methyl-3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid Openeye Name: 5-tert-butyl-1-methyl-3-[[4-[6-(morpholinomethyl)-3-pyridyl]-1-naphthyl]carbamoylamino]pyrrole-2-carboxylic acid CAS Name: 5-tert-butyl-1-methyl-3-[[[[4-[6-(4-morpholinylmethyl)-3-pyridinyl]-1-naphthalenyl]amino]-oxomethyl]amino]-2-pyrrolecarboxylic acid IUPAC Name: 5-tert-butyl-1-methyl-3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylic acid Traditional Name: 5-tert-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:

CC(C)(C)C1=CC(=C(N1C)C(=O)O)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CN=C(C=C4)CN5CCOCC5

Isomeric SMILES

CC(C)(C)C1=CC(=C(N1C)C(=O)O)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CN=C(C=C4)CN5CCOCC5

InChI

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