tert-butyl 3-[3-(cyclopropylmethoxy)phenyl]-1-[(4-fluorophenyl)methyl]indole-2-carboxylate

Systemtic Name: tert-butyl 3-[3-(cyclopropylmethoxy)phenyl]-1-[(4-fluorophenyl)methyl]indole-2-carboxylate Openeye Name: tert-butyl 3-[3-(cyclopropylmethoxy)phenyl]-1-[(4-fluorophenyl)methyl]indole-2-carboxylate CAS Name: 3-[3-(cyclopropylmethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-2-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(cyclopropylmethoxy)phenyl]-1-[(4-fluorophenyl)methyl]indole-2-carboxylate Traditional Name: 3-[3-(cyclopropylmethoxy)phenyl]-1-(4-fluorobenzyl)indole-2-carboxylic acid tert-butyl ester Formula: C30H30FNO3 MolecularWeight: 471.562503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)F)C4=CC(=CC=C4)OCC5CC5

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)F)C4=CC(=CC=C4)OCC5CC5

InChI

InChI=1S/C30H30FNO3/c1-30(2,3)35-29(33)28-27(22-7-6-8-24(17-22)34-19-21-11-12-21)25-9-4-5-10-26(25)32(28)18-20-13-15-23(31)16-14-20/h4-10,13-17,21H,11-12,18-19H2,1-3H3