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

Systemtic Name: ethyl 5-[(E)-3-azanylbut-2-enoyl]-4-[2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 5-[(E)-3-aminobut-2-enoyl]-4-(1-benzyl-2-oxo-pyrrolidin-3-yl)-1H-pyrrole-2-carboxylate CAS Name: 5-[(E)-3-amino-1-oxobut-2-enyl]-4-[2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-3-aminobut-2-enoyl]-4-(1-benzyl-2-oxopyrrolidin-3-yl)-1H-pyrrole-2-carboxylate Traditional Name: 5-[(E)-3-aminobut-2-enoyl]-4-(1-benzyl-2-keto-pyrrolidin-3-yl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N1)C(=O)C=C(C)N)C2CCN(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(N1)C(=O)/C=C(\C)/N)C2CCN(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-3-29-22(28)18-12-17(20(24-18)19(26)11-14(2)23)16-9-10-25(21(16)27)13-15-7-5-4-6-8-15/h4-8,11-12,16,24H,3,9-10,13,23H2,1-2H3/b14-11+