tert-butyl 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1-(phenylmethyl)-1,2-diazinane-3-carboxylate

Systemtic Name: tert-butyl 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1-(phenylmethyl)-1,2-diazinane-3-carboxylate Openeye Name: tert-butyl 1-benzyl-2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]hexahydropyridazine-3-carboxylate CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1-(phenylmethyl)-3-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]diazinane-3-carboxylate Traditional Name: 1-benzyl-2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]hexahydropyridazine-3-carboxylic acid tert-butyl ester Formula: C31H43N3O5 MolecularWeight: 537.69022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCCN2CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCCN2CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H43N3O5/c1-6-38-29(36)26(20-19-24-14-9-7-10-15-24)32-23(2)28(35)34-27(30(37)39-31(3,4)5)18-13-21-33(34)22-25-16-11-8-12-17-25/h7-12,14-17,23,26-27,32H,6,13,18-22H2,1-5H3