methyl 2-[2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]benzoate

Systemtic Name: methyl 2-[2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]benzoate Openeye Name: methyl 2-[2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]benzoate CAS Name: 2-[2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]benzoate Traditional Name: 2-[2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]benzoic acid methyl ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(CCCC1)CCC2=CC=CC=C2C(=O)OC

Isomeric SMILES

COC1=NC(CCCC1)CCC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H23NO3/c1-20-16-10-6-4-8-14(18-16)12-11-13-7-3-5-9-15(13)17(19)21-2/h3,5,7,9,14H,4,6,8,10-12H2,1-2H3