5-[(Z)-(5-methanoyl-4,4-dimethyl-3H-pyrrol-2-ylidene)-phenyl-methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[(Z)-(5-methanoyl-4,4-dimethyl-3H-pyrrol-2-ylidene)-phenyl-methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[(Z)-(5-formyl-4,4-dimethyl-3H-pyrrol-2-ylidene)-phenyl-methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-[(Z)-(5-formyl-4,4-dimethyl-3H-pyrrol-2-ylidene)-phenylmethyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[(Z)-(5-formyl-4,4-dimethyl-3H-pyrrol-2-ylidene)-phenylmethyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[(Z)-(5-formyl-4,4-dimethyl-1-pyrrolin-2-ylidene)-phenyl-methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C(=O)O)C(=C2CC(C(=N2)C=O)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C)C(=O)O)/C(=C\2/CC(C(=N2)C=O)(C)C)/C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-12-13(2)19(20(25)26)23-18(12)17(14-8-6-5-7-9-14)15-10-21(3,4)16(11-24)22-15/h5-9,11,23H,10H2,1-4H3,(H,25,26)/b17-15-