methyl 5-azanyl-2-[(E)-3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoate

Systemtic Name: methyl 5-azanyl-2-[(E)-3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoate Openeye Name: methyl 5-amino-2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoate CAS Name: 5-amino-2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-amino-2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoate Traditional Name: 5-amino-2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoic acid methyl ester Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N)C=CCC2CCCCC(=N2)N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N)/C=C/CC2CCCCC(=N2)N

InChI

InChI=1S/C17H23N3O2/c1-22-17(21)15-11-13(18)10-9-12(15)5-4-7-14-6-2-3-8-16(19)20-14/h4-5,9-11,14H,2-3,6-8,18H2,1H3,(H2,19,20)/b5-4+