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

Systemtic Name: 5-[(E)-3-azanylbut-2-enoyl]-4-[2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[(E)-3-aminobut-2-enoyl]-4-(1-benzyl-2-oxo-pyrrolidin-3-yl)-1H-pyrrole-2-carboxylic acid CAS Name: 5-[(E)-3-amino-1-oxobut-2-enyl]-4-[2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[(E)-3-aminobut-2-enoyl]-4-(1-benzyl-2-oxopyrrolidin-3-yl)-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[(E)-3-aminobut-2-enoyl]-4-(1-benzyl-2-keto-pyrrolidin-3-yl)-1H-pyrrole-2-carboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-12(21)9-17(24)18-15(10-16(22-18)20(26)27)14-7-8-23(19(14)25)11-13-5-3-2-4-6-13/h2-6,9-10,14,22H,7-8,11,21H2,1H3,(H,26,27)/b12-9+