3-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H18N4O5/c1-2-21-20(29)22-17(25)16(12-8-4-3-5-9-12)24-18(26)14-11-7-6-10-13(14)15(23-24)19(27)28/h3-11,16H,2H2,1H3,(H,27,28)(H2,21,22,25,29)/t16-/m0/s1