1-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]indole-2-carboxylic acid

Systemtic Name: 1-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]indole-2-carboxylic acid Openeye Name: 1-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]indole-2-carboxylic acid CAS Name: 1-ethyl-3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-2-indolecarboxylic acid IUPAC Name: 1-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]indole-2-carboxylic acid Traditional Name: 1-ethyl-3-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]indole-2-carboxylic acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H27N3O4/c1-3-27-21-7-5-4-6-19(21)20(23(27)24(29)30)16-22(28)26-14-12-25(13-15-26)17-8-10-18(31-2)11-9-17/h4-11H,3,12-16H2,1-2H3,(H,29,30)