[4-[4-[(4-heptan-4-ylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]methyl benzoate

Systemtic Name: [4-[4-[(4-heptan-4-ylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]methyl benzoate Openeye Name: [4-[4-[[4-(1-propylbutyl)phenyl]methoxy]phenyl]thiazol-2-yl]methyl benzoate CAS Name: benzoic acid [4-[4-[(4-heptan-4-ylphenyl)methoxy]phenyl]-2-thiazolyl]methyl ester IUPAC Name: [4-[4-[(4-heptan-4-ylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]methyl benzoate Traditional Name: benzoic acid [4-[4-[4-(1-propylbutyl)benzyl]oxyphenyl]thiazol-2-yl]methyl ester Formula: C31H33NO3S MolecularWeight: 499.66362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CSC(=N3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CSC(=N3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H33NO3S/c1-3-8-24(9-4-2)25-14-12-23(13-15-25)20-34-28-18-16-26(17-19-28)29-22-36-30(32-29)21-35-31(33)27-10-6-5-7-11-27/h5-7,10-19,22,24H,3-4,8-9,20-21H2,1-2H3