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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)C2CCCCC(=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC)C2CCCCC(=N2)N

InChI

InChI=1S/C17H24N2O2/c1-12-7-9-13(10-8-12)14(11-17(20)21-2)15-5-3-4-6-16(18)19-15/h7-10,14-15H,3-6,11H2,1-2H3,(H2,18,19)