(2S)-2-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-3-phenyl-propionate Formula: C22H22N3O4- MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-2-3-13-25-21(27)17-12-8-7-11-16(17)19(24-25)20(26)23-18(22(28)29)14-15-9-5-4-6-10-15/h4-12,18H,2-3,13-14H2,1H3,(H,23,26)(H,28,29)/p-1/t18-/m0/s1