methyl (2S)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H25N3O3/c1-29-23(28)21(12-18-13-24-20-9-5-4-8-19(18)20)25-22(27)15-26-11-10-16-6-2-3-7-17(16)14-26/h2-9,13,21,24H,10-12,14-15H2,1H3,(H,25,27)/t21-/m0/s1