octan-2-yl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: octan-2-yl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: 1-methylheptyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-acetamido-3-(4-methoxyphenyl)propanoic acid octan-2-yl ester IUPAC Name: octan-2-yl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-acetamido-3-(4-methoxyphenyl)propionic acid 1-methylheptyl ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C(CC1=CC=C(C=C1)OC)NC(=O)C

Isomeric SMILES

CCCCCCC(C)OC(=O)[C@H](CC1=CC=C(C=C1)OC)NC(=O)C

InChI

InChI=1S/C20H31NO4/c1-5-6-7-8-9-15(2)25-20(23)19(21-16(3)22)14-17-10-12-18(24-4)13-11-17/h10-13,15,19H,5-9,14H2,1-4H3,(H,21,22)/t15?,19-/m0/s1