tert-butyl (2S)-2-[2-chloranylethanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[2-chloranylethanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-chloro-1-oxoethyl)-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-chloroacetyl)-p-anisyl-amino]-3-phenyl-propionic acid tert-butyl ester Formula: C23H28ClNO4 MolecularWeight: 417.92572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N(CC2=CC=C(C=C2)OC)C(=O)CCl

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N(CC2=CC=C(C=C2)OC)C(=O)CCl

InChI

InChI=1S/C23H28ClNO4/c1-23(2,3)29-22(27)20(14-17-8-6-5-7-9-17)25(21(26)15-24)16-18-10-12-19(28-4)13-11-18/h5-13,20H,14-16H2,1-4H3/t20-/m0/s1