(phenylmethyl) (E)-6-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methyl-hex-4-enoate

Systemtic Name: (phenylmethyl) (E)-6-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methyl-hex-4-enoate Openeye Name: benzyl (E)-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methyl-hex-4-enoate CAS Name: (E)-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methyl-4-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methylhex-4-enoate Traditional Name: (E)-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methyl-hex-4-enoic acid benzyl ester Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CCC1CCCCC(=N1)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C/C=C/CC1CCCCC(=N1)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O2/c1-16(20(23)24-15-17-10-3-2-4-11-17)9-5-6-12-18-13-7-8-14-19(21)22-18/h2-6,10-11,16,18H,7-9,12-15H2,1H3,(H2,21,22)/b6-5+