3-[[1-(4-ethoxycarbonylphenyl)-2,5-diphenyl-pyrrol-3-yl]methylideneamino]benzoic acid

Systemtic Name: 3-[[1-(4-ethoxycarbonylphenyl)-2,5-diphenyl-pyrrol-3-yl]methylideneamino]benzoic acid Openeye Name: 3-[[1-(4-ethoxycarbonylphenyl)-2,5-diphenyl-pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 3-[[1-(4-ethoxycarbonylphenyl)-2,5-diphenyl-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 3-[[1-(4-ethoxycarbonylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]benzoic acid Traditional Name: 3-[[1-(4-carbethoxyphenyl)-2,5-diphenyl-pyrrol-3-yl]methyleneamino]benzoic acid Formula: C33H26N2O4 MolecularWeight: 514.57054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C33H26N2O4/c1-2-39-33(38)25-16-18-29(19-17-25)35-30(23-10-5-3-6-11-23)21-27(31(35)24-12-7-4-8-13-24)22-34-28-15-9-14-26(20-28)32(36)37/h3-22H,2H2,1H3,(H,36,37)