[3-(2,4-dimethyl-6-oxidanyl-3-phenylmethoxy-phenyl)-3-methyl-butyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propanoate

Systemtic Name: [3-(2,4-dimethyl-6-oxidanyl-3-phenylmethoxy-phenyl)-3-methyl-butyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propanoate Openeye Name: [3-(3-benzyloxy-6-hydroxy-2,4-dimethyl-phenyl)-3-methyl-butyl] (2S)-3-benzyloxy-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylmethoxypropanoic acid [3-(6-hydroxy-2,4-dimethyl-3-phenylmethoxyphenyl)-3-methylbutyl] ester IUPAC Name: [3-(6-hydroxy-2,4-dimethyl-3-phenylmethoxyphenyl)-3-methylbutyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate Traditional Name: (2S)-3-benzoxy-2-(tert-butoxycarbonylamino)propionic acid [3-(3-benzoxy-6-hydroxy-2,4-dimethyl-phenyl)-3-methyl-butyl] ester Formula: C35H45NO7 MolecularWeight: 591.7343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OCC2=CC=CC=C2)C)C(C)(C)CCOC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C(=C1OCC2=CC=CC=C2)C)C(C)(C)CCOC(=O)[C@H](COCC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C35H45NO7/c1-24-20-29(37)30(25(2)31(24)42-22-27-16-12-9-13-17-27)35(6,7)18-19-41-32(38)28(36-33(39)43-34(3,4)5)23-40-21-26-14-10-8-11-15-26/h8-17,20,28,37H,18-19,21-23H2,1-7H3,(H,36,39)/t28-/m0/s1