[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C22H21ClN2O4/c1-14-7-8-17(23)11-19(14)24-21(27)13-29-22(28)12-20-18-6-4-3-5-16(18)9-10-25(20)15(2)26/h3-11,20H,12-13H2,1-2H3,(H,24,27)/t20-/m1/s1