methyl 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butylamino]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butylamino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butylamino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butylamino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butylamino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butylamino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CN1C=C(C2=CC=CC=C21)C(=O)OC)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(CNC(=O)CN1C=C(C2=CC=CC=C21)C(=O)OC)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H29N3O3/c1-3-20(27-13-12-18-8-4-5-9-19(18)15-27)14-26-24(29)17-28-16-22(25(30)31-2)21-10-6-7-11-23(21)28/h4-11,16,20H,3,12-15,17H2,1-2H3,(H,26,29)