(phenylmethyl) (2S)-2-[(4-butoxyphenyl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-butoxyphenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: benzyl (2S)-2-[(4-butoxybenzoyl)amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(4-butoxyphenyl)-oxomethyl]amino]-3-hydroxypropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-butoxybenzoyl)amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[(4-butoxybenzoyl)amino]-3-hydroxy-propionic acid benzyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(CO)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5/c1-2-3-13-26-18-11-9-17(10-12-18)20(24)22-19(14-23)21(25)27-15-16-7-5-4-6-8-16/h4-12,19,23H,2-3,13-15H2,1H3,(H,22,24)/t19-/m0/s1