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

Systemtic Name: sodium 2-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoyl-(3-propan-2-yloxyphenyl)amino]ethanoate Openeye Name: sodium 2-[N-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methylcarbamoyl]-3-isopropoxy-anilino]acetate CAS Name: sodium 2-(N-[[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methylamino]-oxomethyl]-3-propan-2-yloxyanilino)acetate IUPAC Name: sodium 2-[N-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylcarbamoyl]-3-propan-2-yloxyanilino]acetate Traditional Name: sodium 2-[N-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methylcarbamoyl]-3-isopropoxy-anilino]acetate Formula: C29H27ClN3NaO5 MolecularWeight: 555.98455

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C29H28ClN3O5.Na/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);/q;+1/p-1