tert-butyl 4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-[(2-amino-2-oxo-ethyl)carbamoyl]-3-ethyl-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-3-ethyl-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-amino-2-oxoethyl)carbamoyl]-3-ethyl-5-[(4-methoxyanilino)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[(2-amino-2-keto-ethyl)carbamoyl]-3-ethyl-5-(p-anisidinomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)NCC(=O)N)CNC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)NCC(=O)N)CNC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N4O5/c1-6-15-18(20(28)25-12-17(23)27)16(26-19(15)21(29)31-22(2,3)4)11-24-13-7-9-14(30-5)10-8-13/h7-10,24,26H,6,11-12H2,1-5H3,(H2,23,27)(H,25,28)