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

Systemtic Name: ethyl 4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O2/c1-2-19-15(18)12-7-9-13(10-8-12)17-14-6-4-3-5-11-16-14/h7-10H,2-6,11H2,1H3,(H,16,17)