4-[3-[6-oxidanylidene-1-[(phenylmethyl)carbamoyl]pyridazin-3-yl]prop-2-ynyl]benzoic acid

Systemtic Name: 4-[3-[6-oxidanylidene-1-[(phenylmethyl)carbamoyl]pyridazin-3-yl]prop-2-ynyl]benzoic acid Openeye Name: 4-[3-[1-(benzylcarbamoyl)-6-oxo-pyridazin-3-yl]prop-2-ynyl]benzoic acid CAS Name: 4-[3-[6-oxo-1-[oxo-[(phenylmethyl)amino]methyl]-3-pyridazinyl]prop-2-ynyl]benzoic acid IUPAC Name: 4-[3-[1-(benzylcarbamoyl)-6-oxopyridazin-3-yl]prop-2-ynyl]benzoic acid Traditional Name: 4-[3-[1-(benzylcarbamoyl)-6-keto-pyridazin-3-yl]prop-2-ynyl]benzoic acid Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)N2C(=O)C=CC(=N2)C#CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)N2C(=O)C=CC(=N2)C#CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H17N3O4/c26-20-14-13-19(8-4-7-16-9-11-18(12-10-16)21(27)28)24-25(20)22(29)23-15-17-5-2-1-3-6-17/h1-3,5-6,9-14H,7,15H2,(H,23,29)(H,27,28)