7-(2-azanyl-2-oxidanylidene-ethoxy)-6-methoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 7-(2-azanyl-2-oxidanylidene-ethoxy)-6-methoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 7-(2-amino-2-oxo-ethoxy)-6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid CAS Name: 7-(2-amino-2-oxoethoxy)-6-methoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinecarboxylic acid IUPAC Name: 7-(2-amino-2-oxoethoxy)-6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 7-(2-amino-2-keto-ethoxy)-1-m-anisoyl-6-methoxy-isoquinoline-4-carboxylic acid Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OCC(=O)N)OC)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OCC(=O)N)OC)C(=O)O

InChI

InChI=1S/C21H18N2O7/c1-28-12-5-3-4-11(6-12)20(25)19-14-8-17(30-10-18(22)24)16(29-2)7-13(14)15(9-23-19)21(26)27/h3-9H,10H2,1-2H3,(H2,22,24)(H,26,27)