2-[[(E)-3-[1-(1H-indol-2-yl)ethyl-methyl-amino]-3-oxidanylidene-2-pyridin-3-yl-prop-1-enyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(E)-3-[1-(1H-indol-2-yl)ethyl-methyl-amino]-3-oxidanylidene-2-pyridin-3-yl-prop-1-enyl]carbamoyl]benzoic acid Openeye Name: 2-[[(E)-3-[1-(1H-indol-2-yl)ethyl-methyl-amino]-3-oxo-2-(3-pyridyl)prop-1-enyl]carbamoyl]benzoic acid CAS Name: 2-[[[(E)-3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxo-2-(3-pyridinyl)prop-1-enyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(E)-3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxo-2-pyridin-3-ylprop-1-enyl]carbamoyl]benzoic acid Traditional Name: 2-[[(E)-3-[1-(1H-indol-2-yl)ethyl-methyl-amino]-3-keto-2-(3-pyridyl)prop-1-enyl]carbamoyl]benzoic acid Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2N1)N(C)C(=O)C(=CNC(=O)C3=CC=CC=C3C(=O)O)C4=CN=CC=C4

Isomeric SMILES

CC(C1=CC2=CC=CC=C2N1)N(C)C(=O)/C(=C/NC(=O)C3=CC=CC=C3C(=O)O)/C4=CN=CC=C4

InChI

InChI=1S/C27H24N4O4/c1-17(24-14-18-8-3-6-12-23(18)30-24)31(2)26(33)22(19-9-7-13-28-15-19)16-29-25(32)20-10-4-5-11-21(20)27(34)35/h3-17,30H,1-2H3,(H,29,32)(H,34,35)/b22-16+