methyl 2-[[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-(3-chloro-4-methyl-anilino)isoquinoline-4-carbonyl]amino]acetate CAS Name: 2-[[[1-(3-chloro-4-methylanilino)-4-isoquinolinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-(3-chloro-4-methylanilino)isoquinoline-4-carbonyl]amino]acetate Traditional Name: 2-[[1-(3-chloro-4-methyl-anilino)isoquinoline-4-carbonyl]amino]acetic acid methyl ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCC(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCC(=O)OC)Cl

InChI

InChI=1S/C20H18ClN3O3/c1-12-7-8-13(9-17(12)21)24-19-15-6-4-3-5-14(15)16(10-22-19)20(26)23-11-18(25)27-2/h3-10H,11H2,1-2H3,(H,22,24)(H,23,26)