[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)CC(C2=CC=C(C=C2)OC)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)CC(C2=CC=C(C=C2)OC)NC(=O)C

InChI

InChI=1S/C22H32N2O5/c1-15(22(27)24-18-8-6-4-5-7-9-18)29-21(26)14-20(23-16(2)25)17-10-12-19(28-3)13-11-17/h10-13,15,18,20H,4-9,14H2,1-3H3,(H,23,25)(H,24,27)