3-[2-[3-[ethyl-(3-methylphenyl)amino]propylamino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-[3-[ethyl-(3-methylphenyl)amino]propylamino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[3-(N-ethyl-3-methyl-anilino)propylamino]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-[3-(N-ethyl-3-methyl-anilino)propylamino]-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)CC1=C(NC2=CC=CC=C21)C(=O)O)C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCCNC(=O)CC1=C(NC2=CC=CC=C21)C(=O)O)C3=CC=CC(=C3)C

InChI

InChI=1S/C23H27N3O3/c1-3-26(17-9-6-8-16(2)14-17)13-7-12-24-21(27)15-19-18-10-4-5-11-20(18)25-22(19)23(28)29/h4-6,8-11,14,25H,3,7,12-13,15H2,1-2H3,(H,24,27)(H,28,29)