3-[1-(4-ethylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-(phenylmethyl)indole-6-carboxylic acid

Systemtic Name: 3-[1-(4-ethylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 1-benzyl-3-[1-(4-ethylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 3-[1-(4-ethyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[1-(4-ethylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]indole-6-carboxylic acid Traditional Name: 1-benzyl-3-[1-(4-ethylpiperazino)-2-hydroxy-2-keto-ethyl]indole-6-carboxylic acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H27N3O4/c1-2-25-10-12-26(13-11-25)22(24(30)31)20-16-27(15-17-6-4-3-5-7-17)21-14-18(23(28)29)8-9-19(20)21/h3-9,14,16,22H,2,10-13,15H2,1H3,(H,28,29)(H,30,31)