2-(dimethylaminomethyl)-5-[[(Z)-(6-ethoxycarbonyl-2-oxidanylidene-1H-indol-3-ylidene)-phenyl-methyl]amino]benzoic acid

Systemtic Name: 2-(dimethylaminomethyl)-5-[[(Z)-(6-ethoxycarbonyl-2-oxidanylidene-1H-indol-3-ylidene)-phenyl-methyl]amino]benzoic acid Openeye Name: 2-(dimethylaminomethyl)-5-[[(Z)-(6-ethoxycarbonyl-2-oxo-indolin-3-ylidene)-phenyl-methyl]amino]benzoic acid CAS Name: 2-(dimethylaminomethyl)-5-[[(Z)-(6-ethoxycarbonyl-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]benzoic acid IUPAC Name: 2-(dimethylaminomethyl)-5-[[(Z)-(6-ethoxycarbonyl-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]benzoic acid Traditional Name: 5-[[(Z)-(6-carbethoxy-2-keto-indolin-3-ylidene)-phenyl-methyl]amino]-2-(dimethylaminomethyl)benzoic acid Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=C(C3=CC=CC=C3)NC4=CC(=C(C=C4)CN(C)C)C(=O)O)C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)/C(=C(\C3=CC=CC=C3)/NC4=CC(=C(C=C4)CN(C)C)C(=O)O)/C(=O)N2

InChI

InChI=1S/C28H27N3O5/c1-4-36-28(35)18-11-13-21-23(14-18)30-26(32)24(21)25(17-8-6-5-7-9-17)29-20-12-10-19(16-31(2)3)22(15-20)27(33)34/h5-15,29H,4,16H2,1-3H3,(H,30,32)(H,33,34)/b25-24-