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

Systemtic Name: (E)-2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]-3-pyridin-2-yl-prop-2-enoic acid Openeye Name: (E)-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(2-pyridyl)prop-2-enoic acid CAS Name: (E)-2-[[[2-chloro-4-[(1H-indol-4-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-3-(2-pyridinyl)-2-propenoic acid IUPAC Name: (E)-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-pyridin-2-ylprop-2-enoic acid Traditional Name: (E)-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(2-pyridyl)acrylic acid Formula: C25H19ClN4O4 MolecularWeight: 474.89576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=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=NC(=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/C25H19ClN4O4/c26-20-12-15(23(31)29-14-16-4-3-6-21-18(16)9-11-28-21)7-8-19(20)24(32)30-22(25(33)34)13-17-5-1-2-10-27-17/h1-13,28H,14H2,(H,29,31)(H,30,32)(H,33,34)/b22-13+