methyl 4-[[2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O4/c1-15(25)24-12-11-17-5-3-4-6-19(17)20(24)13-21(26)23-14-16-7-9-18(10-8-16)22(27)28-2/h3-12,20H,13-14H2,1-2H3,(H,23,26)/t20-/m1/s1