(E)-2-[[2-chloranyl-4-(1H-indol-6-ylmethylcarbamoyl)phenyl]carbonylamino]-3-quinolin-3-yl-prop-2-enoic acid

Systemtic Name: (E)-2-[[2-chloranyl-4-(1H-indol-6-ylmethylcarbamoyl)phenyl]carbonylamino]-3-quinolin-3-yl-prop-2-enoic acid Openeye Name: (E)-2-[[2-chloro-4-(1H-indol-6-ylmethylcarbamoyl)benzoyl]amino]-3-(3-quinolyl)prop-2-enoic acid CAS Name: (E)-2-[[[2-chloro-4-[(1H-indol-6-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-3-(3-quinolinyl)-2-propenoic acid IUPAC Name: (E)-2-[[2-chloro-4-(1H-indol-6-ylmethylcarbamoyl)benzoyl]amino]-3-quinolin-3-ylprop-2-enoic acid Traditional Name: (E)-2-[[2-chloro-4-(1H-indol-6-ylmethylcarbamoyl)benzoyl]amino]-3-(3-quinolyl)acrylic acid Formula: C29H21ClN4O4 MolecularWeight: 524.95444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C=C(C(=O)O)NC(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)C=CN5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)/C=C(\C(=O)O)/NC(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)C=CN5)Cl

InChI

InChI=1S/C29H21ClN4O4/c30-23-14-21(27(35)33-15-17-5-6-19-9-10-31-25(19)12-17)7-8-22(23)28(36)34-26(29(37)38)13-18-11-20-3-1-2-4-24(20)32-16-18/h1-14,16,31H,15H2,(H,33,35)(H,34,36)(H,37,38)/b26-13+