tert-butyl 4-[(3-cyclopropyl-1H-pyrazol-5-yl)methylcarbamoyl]-3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-[(3-cyclopropyl-1H-pyrazol-5-yl)methylcarbamoyl]-3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-[(3-cyclopropyl-1H-pyrazol-5-yl)methylcarbamoyl]-3-ethyl-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methylamino]-oxomethyl]-3-ethyl-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-cyclopropyl-1H-pyrazol-5-yl)methylcarbamoyl]-3-ethyl-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[(3-cyclopropyl-1H-pyrazol-5-yl)methylcarbamoyl]-3-ethyl-5-(p-anisidinomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)NCC2=CC(=NN2)C3CC3)CNC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)NCC2=CC(=NN2)C3CC3)CNC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H35N5O4/c1-6-20-23(25(33)29-14-18-13-21(32-31-18)16-7-8-16)22(30-24(20)26(34)36-27(2,3)4)15-28-17-9-11-19(35-5)12-10-17/h9-13,16,28,30H,6-8,14-15H2,1-5H3,(H,29,33)(H,31,32)