3-[2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(4-ethoxybenzyl)-methyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C21H21N3O5/c1-3-29-15-10-8-14(9-11-15)12-23(2)18(25)13-24-20(26)17-7-5-4-6-16(17)19(22-24)21(27)28/h4-11H,3,12-13H2,1-2H3,(H,27,28)