4-[3-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 4-[3-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 4-[3-[(E)-3-amino-3-imino-prop-1-enyl]phenyl]-6-(benzyloxycarbonylamino)hexanoic acid CAS Name: 4-[3-[(E)-3-amino-3-iminoprop-1-enyl]phenyl]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 4-[3-[(E)-3-amino-3-iminoprop-1-enyl]phenyl]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 4-[3-[(E)-3-amino-3-imino-prop-1-enyl]phenyl]-6-(benzyloxycarbonylamino)hexanoic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCC(CCC(=O)O)C2=CC=CC(=C2)C=CC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC(CCC(=O)O)C2=CC=CC(=C2)/C=C/C(=N)N

InChI

InChI=1S/C23H27N3O4/c24-21(25)11-9-17-7-4-8-20(15-17)19(10-12-22(27)28)13-14-26-23(29)30-16-18-5-2-1-3-6-18/h1-9,11,15,19H,10,12-14,16H2,(H3,24,25)(H,26,29)(H,27,28)/b11-9+