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

Systemtic Name: [(E)-prop-1-enyl] 3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-5-methoxy-benzoate Openeye Name: [(E)-prop-1-enyl] 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-5-methoxy-benzoate CAS Name: 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-5-methoxybenzoic acid [(E)-prop-1-enyl] ester IUPAC Name: [(E)-prop-1-enyl] 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-5-methoxybenzoate Traditional Name: 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-5-methoxy-benzoic acid [(E)-prop-1-enyl] ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CC=COC(=O)C1=CC(=CC(=C1)OC)C2CCCCC(=N2)N

Isomeric SMILES

C/C=C/OC(=O)C1=CC(=CC(=C1)OC)C2CCCCC(=N2)N

InChI

InChI=1S/C17H22N2O3/c1-3-8-22-17(20)13-9-12(10-14(11-13)21-2)15-6-4-5-7-16(18)19-15/h3,8-11,15H,4-7H2,1-2H3,(H2,18,19)/b8-3+