(3aR,9bS)-2-(2,4-dimethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,4,5,9b-tetrahydrobenzo[e][1,3]benzoxazole-3a-carboxylic acid

Systemtic Name: (3aR,9bS)-2-(2,4-dimethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,4,5,9b-tetrahydrobenzo[e][1,3]benzoxazole-3a-carboxylic acid Openeye Name: (3aR,9bS)-1-tert-butoxycarbonyl-2-(2,4-dimethoxyphenyl)-2,4,5,9b-tetrahydrobenzo[e][1,3]benzoxazole-3a-carboxylic acid CAS Name: (3aR,9bS)-2-(2,4-dimethoxyphenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2,4,5,9b-tetrahydrobenzo[e][1,3]benzoxazole-3a-carboxylic acid IUPAC Name: (3aR,9bS)-2-(2,4-dimethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,4,5,9b-tetrahydrobenzo[e][1,3]benzoxazole-3a-carboxylic acid Traditional Name: (3aR,9bS)-1-tert-butoxycarbonyl-2-(2,4-dimethoxyphenyl)-2,4,5,9b-tetrahydrobenzo[e][1,3]benzoxazole-3a-carboxylic acid Formula: C25H29NO7 MolecularWeight: 455.50026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2C3=CC=CC=C3CCC2(OC1C4=C(C=C(C=C4)OC)OC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]2C3=CC=CC=C3CC[C@]2(OC1C4=C(C=C(C=C4)OC)OC)C(=O)O

InChI

InChI=1S/C25H29NO7/c1-24(2,3)33-23(29)26-20-17-9-7-6-8-15(17)12-13-25(20,22(27)28)32-21(26)18-11-10-16(30-4)14-19(18)31-5/h6-11,14,20-21H,12-13H2,1-5H3,(H,27,28)/t20-,21?,25+/m0/s1