(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate Traditional Name: 2-[[3-(4-methoxyphenyl)acryloyl]amino]benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C30H33NO4 MolecularWeight: 471.58732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=C2NC(=O)C=CC3=CC=C(C=C3)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=C2NC(=O)C=CC3=CC=C(C=C3)OC)C)C(C)(C)C

InChI

InChI=1S/C30H33NO4/c1-20-17-23(30(3,4)5)18-21(2)26(20)19-35-29(33)25-9-7-8-10-27(25)31-28(32)16-13-22-11-14-24(34-6)15-12-22/h7-18H,19H2,1-6H3,(H,31,32)