4-[3-[4-[(2,6-dimethylphenyl)carbamoyl]-2-methyl-piperazin-1-yl]-2-oxidanyl-propoxy]-1H-indole-2-carboxylic acid

Systemtic Name: 4-[3-[4-[(2,6-dimethylphenyl)carbamoyl]-2-methyl-piperazin-1-yl]-2-oxidanyl-propoxy]-1H-indole-2-carboxylic acid Openeye Name: 4-[3-[4-[(2,6-dimethylphenyl)carbamoyl]-2-methyl-piperazin-1-yl]-2-hydroxy-propoxy]-1H-indole-2-carboxylic acid CAS Name: 4-[3-[4-[(2,6-dimethylanilino)-oxomethyl]-2-methyl-1-piperazinyl]-2-hydroxypropoxy]-1H-indole-2-carboxylic acid IUPAC Name: 4-[3-[4-[(2,6-dimethylphenyl)carbamoyl]-2-methylpiperazin-1-yl]-2-hydroxypropoxy]-1H-indole-2-carboxylic acid Traditional Name: 4-[3-[4-[(2,6-dimethylphenyl)carbamoyl]-2-methyl-piperazino]-2-hydroxy-propoxy]-1H-indole-2-carboxylic acid Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(COC2=CC=CC3=C2C=C(N3)C(=O)O)O)C(=O)NC4=C(C=CC=C4C)C

Isomeric SMILES

CC1CN(CCN1CC(COC2=CC=CC3=C2C=C(N3)C(=O)O)O)C(=O)NC4=C(C=CC=C4C)C

InChI

InChI=1S/C26H32N4O5/c1-16-6-4-7-17(2)24(16)28-26(34)30-11-10-29(18(3)13-30)14-19(31)15-35-23-9-5-8-21-20(23)12-22(27-21)25(32)33/h4-9,12,18-19,27,31H,10-11,13-15H2,1-3H3,(H,28,34)(H,32,33)