(E)-2-benzamido-3-[4-[(3-pyrrol-1-ylphenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[4-[(3-pyrrol-1-ylphenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-[(3-pyrrol-1-ylphenyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-[[3-(1-pyrrolyl)phenyl]methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-[(3-pyrrol-1-ylphenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-(3-pyrrol-1-ylbenzyl)oxyphenyl]acrylic acid Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)OCC3=CC(=CC=C3)N4C=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)OCC3=CC(=CC=C3)N4C=CC=C4)/C(=O)O

InChI

InChI=1S/C27H22N2O4/c30-26(22-8-2-1-3-9-22)28-25(27(31)32)18-20-11-13-24(14-12-20)33-19-21-7-6-10-23(17-21)29-15-4-5-16-29/h1-18H,19H2,(H,28,30)(H,31,32)/b25-18+