butyl (3S)-3-acetamido-4-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-cyano-4-propan-2-yloxy-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: butyl (3S)-3-acetamido-4-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-cyano-4-propan-2-yloxy-cyclohexa-1,5-diene-1-carboxylate Openeye Name: butyl (3S)-3-acetamido-4-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-cyano-4-isopropoxy-cyclohexa-1,5-diene-1-carboxylate CAS Name: (3S)-3-acetamido-4-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-cyano-4-propan-2-yloxy-1-cyclohexa-1,5-dienecarboxylic acid butyl ester IUPAC Name: butyl (3S)-3-acetamido-4-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-cyano-4-propan-2-yloxycyclohexa-1,5-diene-1-carboxylate Traditional Name: (3S)-3-acetamido-4-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-cyano-4-isopropoxy-cyclohexa-1,5-diene-1-carboxylic acid butyl ester Formula: C30H38N4O4 MolecularWeight: 518.64712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(C(C=C1)(C2=CC=C(C=C2)C3=CN=C(N3)C(C)(C)C)OC(C)C)(C#N)NC(=O)C

Isomeric SMILES

CCCCOC(=O)C1=C[C@@](C(C=C1)(C2=CC=C(C=C2)C3=CN=C(N3)C(C)(C)C)OC(C)C)(C#N)NC(=O)C

InChI

InChI=1S/C30H38N4O4/c1-8-9-16-37-26(36)23-14-15-30(38-20(2)3,29(17-23,19-31)34-21(4)35)24-12-10-22(11-13-24)25-18-32-27(33-25)28(5,6)7/h10-15,17-18,20H,8-9,16H2,1-7H3,(H,32,33)(H,34,35)/t29-,30?/m0/s1