2-[2-[ethoxy(4-phenylbutyl)phosphoryl]ethanoyl]-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid

Systemtic Name: 2-[2-[ethoxy(4-phenylbutyl)phosphoryl]ethanoyl]-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 2-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 2-[2-[ethoxy(4-phenylbutyl)phosphoryl]-1-oxoethyl]-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 2-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 2-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-5-phenyl-2-pyrazoline-3-carboxylic acid Formula: C24H29N2O5P MolecularWeight: 456.471221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H29N2O5P/c1-2-31-32(30,16-10-9-13-19-11-5-3-6-12-19)18-23(27)26-22(24(28)29)17-21(25-26)20-14-7-4-8-15-20/h3-8,11-12,14-15,22H,2,9-10,13,16-18H2,1H3,(H,28,29)