2-[(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-prop-1-enyl)-methyl-amino]-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 2-[(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-prop-1-enyl)-methyl-amino]-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-2-[(3-methoxy-2-methoxycarbonyl-3-oxo-prop-1-enyl)-methyl-amino]-4,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2-[(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)-methylamino]-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2-[(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)-methylamino]-4,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-2-[(2-carbomethoxy-3-keto-3-methoxy-prop-1-enyl)-methyl-amino]-4,5-dimethyl-pyrrole-3-carboxylic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)O)N(C)C=C(C(=O)OC)C(=O)OC)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=C1C(=O)O)N(C)C=C(C(=O)OC)C(=O)OC)CC2=CC=CC=C2)C

InChI

InChI=1S/C21H24N2O6/c1-13-14(2)23(11-15-9-7-6-8-10-15)18(17(13)19(24)25)22(3)12-16(20(26)28-4)21(27)29-5/h6-10,12H,11H2,1-5H3,(H,24,25)