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

Systemtic Name: 2-[(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-2-[(3-methoxy-2-methoxycarbonyl-3-oxo-prop-1-enyl)amino]-4,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2-[(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)amino]-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2-[(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)amino]-4,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-2-[(2-carbomethoxy-3-keto-3-methoxy-prop-1-enyl)amino]-4,5-dimethyl-pyrrole-3-carboxylic acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-12-13(2)22(11-14-8-6-5-7-9-14)17(16(12)18(23)24)21-10-15(19(25)27-3)20(26)28-4/h5-10,21H,11H2,1-4H3,(H,23,24)