methyl 4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)benzoate

Systemtic Name: methyl 4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)benzoate Openeye Name: methyl 4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)benzoate CAS Name: 4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)benzoate Traditional Name: 4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)benzoic acid methyl ester Formula: C14H18N2O2 MolecularWeight: 246.30492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NCCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NCCCCC2

InChI

InChI=1S/C14H18N2O2/c1-18-14(17)11-6-8-12(9-7-11)16-13-5-3-2-4-10-15-13/h6-9H,2-5,10H2,1H3,(H,15,16)