ethyl 3-methylidene-1-[[4-[methyl(piperidin-1-ylcarbonyl)amino]phenyl]amino]-2-oxidanylidene-1-phenyl-indol-1-ium-6-carboxylate

Systemtic Name: ethyl 3-methylidene-1-[[4-[methyl(piperidin-1-ylcarbonyl)amino]phenyl]amino]-2-oxidanylidene-1-phenyl-indol-1-ium-6-carboxylate Openeye Name: ethyl 3-methylene-1-[4-[methyl(piperidine-1-carbonyl)amino]anilino]-2-oxo-1-phenyl-indolin-1-ium-6-carboxylate CAS Name: 3-methylene-1-[4-[methyl-[oxo(1-piperidinyl)methyl]amino]anilino]-2-oxo-1-phenyl-6-indol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-methylidene-1-[4-[methyl(piperidine-1-carbonyl)amino]anilino]-2-oxo-1-phenylindol-1-ium-6-carboxylate Traditional Name: 2-keto-3-methylene-1-[4-[methyl(piperidine-1-carbonyl)amino]anilino]-1-phenyl-indolin-1-ium-6-carboxylic acid ethyl ester Formula: C31H33N4O4+ MolecularWeight: 525.61812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=C)C(=O)[N+]2(C3=CC=CC=C3)NC4=CC=C(C=C4)N(C)C(=O)N5CCCCC5

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=C)C(=O)[N+]2(C3=CC=CC=C3)NC4=CC=C(C=C4)N(C)C(=O)N5CCCCC5

InChI

InChI=1S/C31H33N4O4/c1-4-39-30(37)23-13-18-27-22(2)29(36)35(28(27)21-23,26-11-7-5-8-12-26)32-24-14-16-25(17-15-24)33(3)31(38)34-19-9-6-10-20-34/h5,7-8,11-18,21,32H,2,4,6,9-10,19-20H2,1,3H3/q+1