methyl 3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-3-yl)-3-(4-methylphenyl)propanoate

Systemtic Name: methyl 3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-3-yl)-3-(4-methylphenyl)propanoate Openeye Name: methyl 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-3-yl)-3-(p-tolyl)propanoate CAS Name: 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-3-yl)-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-3-yl)-3-(4-methylphenyl)propanoate Traditional Name: 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-3-yl)-3-(p-tolyl)propionic acid methyl ester Formula: C17H24N2O2 MolecularWeight: 288.38466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)C2CCCC(=NC2)N

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC)C2CCCC(=NC2)N

InChI

InChI=1S/C17H24N2O2/c1-12-6-8-13(9-7-12)15(10-17(20)21-2)14-4-3-5-16(18)19-11-14/h6-9,14-15H,3-5,10-11H2,1-2H3,(H2,18,19)