5-chloranyl-3-[2-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-[3-(3,5-dimethyl-1-piperidyl)propylamino]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-[3-(3,5-dimethyl-1-piperidinyl)propylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-[3-(3,5-dimethylpiperidino)propylamino]-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCNC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)CCCNC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C21H28ClN3O3/c1-13-8-14(2)12-25(11-13)7-3-6-23-19(26)10-17-16-9-15(22)4-5-18(16)24-20(17)21(27)28/h4-5,9,13-14,24H,3,6-8,10-12H2,1-2H3,(H,23,26)(H,27,28)