(3,5-dimethylphenyl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-yl-propanoate

Systemtic Name: (3,5-dimethylphenyl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-yl-propanoate Openeye Name: (3,5-dimethylphenyl)methyl (2S)-2-(tert-butoxycarbonylamino)-3-(2-naphthyl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2-naphthalenyl)propanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(2-naphthyl)propionic acid (3,5-dimethylbenzyl) ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C27H31NO4/c1-18-12-19(2)14-21(13-18)17-31-25(29)24(28-26(30)32-27(3,4)5)16-20-10-11-22-8-6-7-9-23(22)15-20/h6-15,24H,16-17H2,1-5H3,(H,28,30)/t24-/m0/s1