3,4-bis(azanyl)-2-[3-[(1-methylcyclohexyl)amino]propyl]benzoate

Systemtic Name: 3,4-bis(azanyl)-2-[3-[(1-methylcyclohexyl)amino]propyl]benzoate Openeye Name: 3,4-diamino-2-[3-[(1-methylcyclohexyl)amino]propyl]benzoate CAS Name: 3,4-diamino-2-[3-[(1-methylcyclohexyl)amino]propyl]benzoate IUPAC Name: 3,4-diamino-2-[3-[(1-methylcyclohexyl)amino]propyl]benzoate Traditional Name: 3,4-diamino-2-[3-[(1-methylcyclohexyl)amino]propyl]benzoate Formula: C17H26N3O2- MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)NCCCC2=C(C=CC(=C2N)N)C(=O)[O-]

Isomeric SMILES

CC1(CCCCC1)NCCCC2=C(C=CC(=C2N)N)C(=O)[O-]

InChI

InChI=1S/C17H27N3O2/c1-17(9-3-2-4-10-17)20-11-5-6-12-13(16(21)22)7-8-14(18)15(12)19/h7-8,20H,2-6,9-11,18-19H2,1H3,(H,21,22)/p-1