ethyl 2-[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[C@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C22H22N2O4/c1-3-28-22(27)18-10-6-7-11-19(18)23-21(26)14-20-17-9-5-4-8-16(17)12-13-24(20)15(2)25/h4-13,20H,3,14H2,1-2H3,(H,23,26)/t20-/m0/s1