1-ethyl-3-[2-[3-[ethyl-(phenylmethyl)amino]propylamino]-2-oxidanylidene-ethyl]indole-2-carboxylic acid

Systemtic Name: 1-ethyl-3-[2-[3-[ethyl-(phenylmethyl)amino]propylamino]-2-oxidanylidene-ethyl]indole-2-carboxylic acid Openeye Name: 3-[2-[3-[benzyl(ethyl)amino]propylamino]-2-oxo-ethyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 1-ethyl-3-[2-[3-[ethyl-(phenylmethyl)amino]propylamino]-2-oxoethyl]-2-indolecarboxylic acid IUPAC Name: 3-[2-[3-[benzyl(ethyl)amino]propylamino]-2-oxoethyl]-1-ethylindole-2-carboxylic acid Traditional Name: 3-[2-[3-[benzyl(ethyl)amino]propylamino]-2-keto-ethyl]-1-ethyl-indole-2-carboxylic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCCN(CC)CC3=CC=CC=C3

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCCN(CC)CC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3/c1-3-27(18-19-11-6-5-7-12-19)16-10-15-26-23(29)17-21-20-13-8-9-14-22(20)28(4-2)24(21)25(30)31/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,26,29)(H,30,31)