azane; (phenylmethyl) 4-(5-azanylpentylamino)-4-oxidanylidene-butanoate

Systemtic Name: azane; (phenylmethyl) 4-(5-azanylpentylamino)-4-oxidanylidene-butanoate Openeye Name: ammonia; benzyl 4-(5-aminopentylamino)-4-oxo-butanoate CAS Name: 4-(5-aminopentylamino)-4-oxobutanoic acid (phenylmethyl) ester; ammonia IUPAC Name: azane; benzyl 4-(5-aminopentylamino)-4-oxobutanoate Traditional Name: 4-(5-aminopentylamino)-4-keto-butyric acid benzyl ester; ammonia Formula: C16H27N3O3 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(=O)NCCCCCN.N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(=O)NCCCCCN.N

InChI

InChI=1S/C16H24N2O3.H3N/c17-11-5-2-6-12-18-15(19)9-10-16(20)21-13-14-7-3-1-4-8-14;/h1,3-4,7-8H,2,5-6,9-13,17H2,(H,18,19);1H3