[4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] 6-(phenylmethoxycarbonylamino)hexanoate; methanesulfonate

Systemtic Name: [4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] 6-(phenylmethoxycarbonylamino)hexanoate; methanesulfonate Openeye Name: [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] 6-(benzyloxycarbonylamino)hexanoate; methanesulfonate CAS Name: methanesulfonate; 6-(phenylmethoxycarbonylamino)hexanoic acid [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] 6-(phenylmethoxycarbonylamino)hexanoate; methanesulfonate Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] ester mesylate Formula: C24H30N3O7S- MolecularWeight: 504.5759

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)OC2=CC=C(C=C2)C=CC(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)OC2=CC=C(C=C2)/C=C/C(=N)N

InChI

InChI=1S/C23H27N3O4.CH4O3S/c24-21(25)15-12-18-10-13-20(14-11-18)30-22(27)9-5-2-6-16-26-23(28)29-17-19-7-3-1-4-8-19;1-5(2,3)4/h1,3-4,7-8,10-15H,2,5-6,9,16-17H2,(H3,24,25)(H,26,28);1H3,(H,2,3,4)/p-1/b15-12+;