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

Systemtic Name: methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N3O3/c1-14(25-12-11-15-7-3-4-8-16(15)13-25)21(26)24-19-17-9-5-6-10-18(17)23-20(19)22(27)28-2/h3-10,14,23H,11-13H2,1-2H3,(H,24,26)