5-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]-1-ethyl-indole-2-carboxylic acid

Systemtic Name: 5-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]-1-ethyl-indole-2-carboxylic acid Openeye Name: 5-[(4-benzyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 5-[[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-(3-hydroxyphenyl)methyl]-1-ethyl-2-indolecarboxylic acid IUPAC Name: 5-[(4-benzyl-2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-1-ethylindole-2-carboxylic acid Traditional Name: 5-[(4-benzyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]-1-ethyl-indole-2-carboxylic acid Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(C3=CC(=CC=C3)O)N4CC(N(CC4C)CC5=CC=CC=C5)C)C=C1C(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(C3=CC(=CC=C3)O)N4CC(N(CC4C)CC5=CC=CC=C5)C)C=C1C(=O)O

InChI

InChI=1S/C31H35N3O3/c1-4-33-28-14-13-25(15-26(28)17-29(33)31(36)37)30(24-11-8-12-27(35)16-24)34-19-21(2)32(18-22(34)3)20-23-9-6-5-7-10-23/h5-17,21-22,30,35H,4,18-20H2,1-3H3,(H,36,37)