(E)-2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]-3-phenyl-prop-2-enoic acid

Systemtic Name: (E)-2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]-3-phenyl-prop-2-enoic acid Openeye Name: (E)-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-phenyl-prop-2-enoic acid CAS Name: (E)-2-[[[2-chloro-4-[(1H-indol-4-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-3-phenyl-2-propenoic acid IUPAC Name: (E)-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-phenylprop-2-enoic acid Traditional Name: (E)-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-phenyl-acrylic acid Formula: C26H20ClN3O4 MolecularWeight: 473.9077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C(=O)O)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=C4C=CNC4=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\C(=O)O)/NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=C4C=CNC4=CC=C3)Cl

InChI

InChI=1S/C26H20ClN3O4/c27-21-14-17(24(31)29-15-18-7-4-8-22-19(18)11-12-28-22)9-10-20(21)25(32)30-23(26(33)34)13-16-5-2-1-3-6-16/h1-14,28H,15H2,(H,29,31)(H,30,32)(H,33,34)/b23-13+