tert-butyl 3-[3-[4-(dimethylamino)-4-phenyl-cyclohexyl]-3-oxidanyl-prop-1-ynyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[3-[4-(dimethylamino)-4-phenyl-cyclohexyl]-3-oxidanyl-prop-1-ynyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[3-[4-(dimethylamino)-4-phenyl-cyclohexyl]-3-hydroxy-prop-1-ynyl]indole-1-carboxylate CAS Name: 3-[3-[4-(dimethylamino)-4-phenylcyclohexyl]-3-hydroxyprop-1-ynyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[4-(dimethylamino)-4-phenylcyclohexyl]-3-hydroxyprop-1-ynyl]indole-1-carboxylate Traditional Name: 3-[3-[4-(dimethylamino)-4-phenyl-cyclohexyl]-3-hydroxy-prop-1-ynyl]indole-1-carboxylic acid tert-butyl ester Formula: C30H36N2O3 MolecularWeight: 472.61844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C#CC(C3CCC(CC3)(C4=CC=CC=C4)N(C)C)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C#CC(C3CCC(CC3)(C4=CC=CC=C4)N(C)C)O

InChI

InChI=1S/C30H36N2O3/c1-29(2,3)35-28(34)32-21-23(25-13-9-10-14-26(25)32)15-16-27(33)22-17-19-30(20-18-22,31(4)5)24-11-7-6-8-12-24/h6-14,21-22,27,33H,17-20H2,1-5H3