methyl 5-tert-butyl-3-[[4-(3-morpholin-4-ylprop-1-ynyl)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-tert-butyl-3-[[4-(3-morpholin-4-ylprop-1-ynyl)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-tert-butyl-3-[[4-(3-morpholinoprop-1-ynyl)-1-naphthyl]carbamoylamino]-1H-pyrrole-2-carboxylate CAS Name: 5-tert-butyl-3-[[[[4-[3-(4-morpholinyl)prop-1-ynyl]-1-naphthalenyl]amino]-oxomethyl]amino]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-3-[[4-(3-morpholin-4-ylprop-1-ynyl)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxylate Traditional Name: 5-tert-butyl-3-[[4-(3-morpholinoprop-1-ynyl)-1-naphthyl]carbamoylamino]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(N1)C(=O)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)C#CCN4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC(=C(N1)C(=O)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)C#CCN4CCOCC4

InChI

InChI=1S/C28H32N4O4/c1-28(2,3)24-18-23(25(31-24)26(33)35-4)30-27(34)29-22-12-11-19(20-9-5-6-10-21(20)22)8-7-13-32-14-16-36-17-15-32/h5-6,9-12,18,31H,13-17H2,1-4H3,(H2,29,30,34)