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

Systemtic Name: 5-chloranyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]-1H-indole-2-carboxylic acid Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H22ClN3O4/c1-30-16-5-3-15(4-6-16)25-8-10-26(11-9-25)20(27)13-18-17-12-14(23)2-7-19(17)24-21(18)22(28)29/h2-7,12,24H,8-11,13H2,1H3,(H,28,29)