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

Systemtic Name: methyl 2-[(E)-3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-5-methoxy-benzoate Openeye Name: methyl 2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-5-methoxy-benzoate CAS Name: 2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-5-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-5-methoxybenzoate Traditional Name: 2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-5-methoxy-benzoic acid methyl ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CCC2CCCCC(=N2)N)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/CC2CCCCC(=N2)N)C(=O)OC

InChI

InChI=1S/C18H24N2O3/c1-22-15-11-10-13(16(12-15)18(21)23-2)6-5-8-14-7-3-4-9-17(19)20-14/h5-6,10-12,14H,3-4,7-9H2,1-2H3,(H2,19,20)/b6-5+