5-[(Z)-[6-(4-butylphenyl)-2-oxidanylidene-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-[(Z)-[6-(4-butylphenyl)-2-oxidanylidene-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[(Z)-[6-(4-butylphenyl)-2-oxo-indolin-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[(Z)-[6-(4-butylphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[(Z)-[6-(4-butylphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(Z)-[6-(4-butylphenyl)-2-keto-indolin-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=CC4=C(C(=C(N4)C)C(=O)O)C)C(=O)N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)/C(=C/C4=C(C(=C(N4)C)C(=O)O)C)/C(=O)N3

InChI

InChI=1S/C26H26N2O3/c1-4-5-6-17-7-9-18(10-8-17)19-11-12-20-21(25(29)28-23(20)13-19)14-22-15(2)24(26(30)31)16(3)27-22/h7-14,27H,4-6H2,1-3H3,(H,28,29)(H,30,31)/b21-14-