tert-butyl (E)-3-[(3,3-dimethyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl)carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hex-5-enoate

Systemtic Name: tert-butyl (E)-3-[(3,3-dimethyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl)carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hex-5-enoate Openeye Name: tert-butyl (E)-3-[(1-benzyloxycarbonyl-2,2-dimethyl-propyl)carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hex-5-enoate CAS Name: (E)-3-[[(3,3-dimethyl-1-oxo-1-phenylmethoxybutan-2-yl)amino]-oxomethyl]-6-(3-methyl-4-phenylphenyl)-5-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[(3,3-dimethyl-1-oxo-1-phenylmethoxybutan-2-yl)carbamoyl]-6-(3-methyl-4-phenylphenyl)hex-5-enoate Traditional Name: (E)-3-[(1-carbobenzoxy-2,2-dimethyl-propyl)carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hex-5-enoic acid tert-butyl ester Formula: C37H45NO5 MolecularWeight: 583.7569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CCC(CC(=O)OC(C)(C)C)C(=O)NC(C(=O)OCC2=CC=CC=C2)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/CC(CC(=O)OC(C)(C)C)C(=O)NC(C(=O)OCC2=CC=CC=C2)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C37H45NO5/c1-26-23-27(21-22-31(26)29-18-12-9-13-19-29)17-14-20-30(24-32(39)43-37(5,6)7)34(40)38-33(36(2,3)4)35(41)42-25-28-15-10-8-11-16-28/h8-19,21-23,30,33H,20,24-25H2,1-7H3,(H,38,40)/b17-14+