2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1-pyridin-4-yl-1,2-diazinane-3-carboxylic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1-pyridin-4-yl-1,2-diazinane-3-carboxylic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-1-(4-pyridyl)hexahydropyridazine-3-carboxylic acid CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1-pyridin-4-yl-3-diazinanecarboxylic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1-pyridin-4-yldiazinane-3-carboxylic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-1-(4-pyridyl)hexahydropyridazine-3-carboxylic acid Formula: C25H32N4O5 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCCN2C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCCN2C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C25H32N4O5/c1-3-34-25(33)21(12-11-19-8-5-4-6-9-19)27-18(2)23(30)29-22(24(31)32)10-7-17-28(29)20-13-15-26-16-14-20/h4-6,8-9,13-16,18,21-22,27H,3,7,10-12,17H2,1-2H3,(H,31,32)