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

Systemtic Name: 2-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoyl-(3-propan-2-yloxyphenyl)amino]ethanoic acid Openeye Name: 2-[N-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methylcarbamoyl]-3-isopropoxy-anilino]acetic acid CAS Name: 2-(N-[[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methylamino]-oxomethyl]-3-propan-2-yloxyanilino)acetic acid IUPAC Name: 2-[N-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylcarbamoyl]-3-propan-2-yloxyanilino]acetic acid Traditional Name: 2-[N-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methylcarbamoyl]-3-isopropoxy-anilino]acetic acid Formula: C29H28ClN3O5 MolecularWeight: 534.00272

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H28ClN3O5/c1-18(2)38-22-11-7-10-21(15-22)33(17-26(34)35)29(37)31-16-25-27(19-8-5-4-6-9-19)24-14-20(30)12-13-23(24)28(36)32(25)3/h4-15,18H,16-17H2,1-3H3,(H,31,37)(H,34,35)