methyl 2-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoyl-(3-propan-2-yloxyphenyl)amino]ethanoate

Systemtic Name: methyl 2-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoyl-(3-propan-2-yloxyphenyl)amino]ethanoate Openeye Name: methyl 2-[N-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methylcarbamoyl]-3-isopropoxy-anilino]acetate CAS Name: 2-(N-[[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methylamino]-oxomethyl]-3-propan-2-yloxyanilino)acetic acid methyl ester IUPAC Name: methyl 2-[N-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylcarbamoyl]-3-propan-2-yloxyanilino]acetate Traditional Name: 2-[N-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methylcarbamoyl]-3-isopropoxy-anilino]acetic acid methyl ester Formula: C30H30ClN3O5 MolecularWeight: 548.0293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)N(CC(=O)OC)C(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)N(CC(=O)OC)C(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C30H30ClN3O5/c1-19(2)39-23-12-8-11-22(16-23)34(18-27(35)38-4)30(37)32-17-26-28(20-9-6-5-7-10-20)25-15-21(31)13-14-24(25)29(36)33(26)3/h5-16,19H,17-18H2,1-4H3,(H,32,37)