3-[2-[3-(azepan-1-yl)propylamino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-[3-(azepan-1-yl)propylamino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[3-(azepan-1-yl)propylamino]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-[3-(1-azepanyl)propylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[3-(azepan-1-yl)propylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-[3-(azepan-1-yl)propylamino]-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C20H27N3O3/c24-18(21-10-7-13-23-11-5-1-2-6-12-23)14-16-15-8-3-4-9-17(15)22-19(16)20(25)26/h3-4,8-9,22H,1-2,5-7,10-14H2,(H,21,24)(H,25,26)