heptadecyl (2S)-2-[(3-methoxyphenyl)carbonylamino]propanoate

Systemtic Name: heptadecyl (2S)-2-[(3-methoxyphenyl)carbonylamino]propanoate Openeye Name: heptadecyl (2S)-2-[(3-methoxybenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methoxyphenyl)-oxomethyl]amino]propanoic acid heptadecyl ester IUPAC Name: heptadecyl (2S)-2-[(3-methoxybenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-anisoylamino)propionic acid heptadecyl ester Formula: C28H47NO4 MolecularWeight: 461.67708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)C1=CC(=CC=C1)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33-28(31)24(2)29-27(30)25-20-19-21-26(23-25)32-3/h19-21,23-24H,4-18,22H2,1-3H3,(H,29,30)/t24-/m0/s1