ethyl 5-[(E)-3-azanylbut-2-enoyl]-4-(2-oxidanylidene-1-phenyl-pyrrolidin-3-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-[(E)-3-azanylbut-2-enoyl]-4-(2-oxidanylidene-1-phenyl-pyrrolidin-3-yl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 5-[(E)-3-aminobut-2-enoyl]-4-(2-oxo-1-phenyl-pyrrolidin-3-yl)-1H-pyrrole-2-carboxylate CAS Name: 5-[(E)-3-amino-1-oxobut-2-enyl]-4-(2-oxo-1-phenyl-3-pyrrolidinyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-3-aminobut-2-enoyl]-4-(2-oxo-1-phenylpyrrolidin-3-yl)-1H-pyrrole-2-carboxylate Traditional Name: 5-[(E)-3-aminobut-2-enoyl]-4-(2-keto-1-phenyl-pyrrolidin-3-yl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N1)C(=O)C=C(C)N)C2CCN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(N1)C(=O)/C=C(\C)/N)C2CCN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-3-28-21(27)17-12-16(19(23-17)18(25)11-13(2)22)15-9-10-24(20(15)26)14-7-5-4-6-8-14/h4-8,11-12,15,23H,3,9-10,22H2,1-2H3/b13-11+