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

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,2-diazinane-3-carboxylic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]hexahydropyridazine-3-carboxylic acid CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3-diazinanecarboxylic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]diazinane-3-carboxylic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]hexahydropyridazine-3-carboxylic acid Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCCN2)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCCN2)C(=O)O

InChI

InChI=1S/C20H29N3O5/c1-3-28-20(27)16(12-11-15-8-5-4-6-9-15)22-14(2)18(24)23-17(19(25)26)10-7-13-21-23/h4-6,8-9,14,16-17,21-22H,3,7,10-13H2,1-2H3,(H,25,26)