tert-butyl (3aS,7aR)-7-chloranyl-3a-(3-methoxy-4-propan-2-yloxy-phenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylate

Systemtic Name: tert-butyl (3aS,7aR)-7-chloranyl-3a-(3-methoxy-4-propan-2-yloxy-phenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylate Openeye Name: tert-butyl (3aS,7aR)-7-chloro-3a-(4-isopropoxy-3-methoxy-phenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylate CAS Name: (3aS,7aR)-7-chloro-3a-(3-methoxy-4-propan-2-yloxyphenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aS,7aR)-7-chloro-3a-(3-methoxy-4-propan-2-yloxyphenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylate Traditional Name: (3aS,7aR)-7-chloro-3a-(4-isopropoxy-3-methoxy-phenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylic acid tert-butyl ester Formula: C23H32ClNO4 MolecularWeight: 421.95748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C23CCC=C(C2N(CC3)C(=O)OC(C)(C)C)Cl)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)[C@@]23CCC=C([C@@H]2N(CC3)C(=O)OC(C)(C)C)Cl)OC

InChI

InChI=1S/C23H32ClNO4/c1-15(2)28-18-10-9-16(14-19(18)27-6)23-11-7-8-17(24)20(23)25(13-12-23)21(26)29-22(3,4)5/h8-10,14-15,20H,7,11-13H2,1-6H3/t20-,23-/m0/s1