4-[3-[2-[5-(diphenylmethyl)-2-oxidanylidene-pyridin-1-yl]ethylsulfanyl]phenoxy]butanoic acid

Systemtic Name: 4-[3-[2-[5-(diphenylmethyl)-2-oxidanylidene-pyridin-1-yl]ethylsulfanyl]phenoxy]butanoic acid Openeye Name: 4-[3-[2-(5-benzhydryl-2-oxo-1-pyridyl)ethylsulfanyl]phenoxy]butanoic acid CAS Name: 4-[3-[2-[5-(diphenylmethyl)-2-oxo-1-pyridinyl]ethylthio]phenoxy]butanoic acid IUPAC Name: 4-[3-[2-(5-benzhydryl-2-oxopyridin-1-yl)ethylsulfanyl]phenoxy]butanoic acid Traditional Name: 4-[3-[2-(5-benzhydryl-2-keto-1-pyridyl)ethylthio]phenoxy]butyric acid Formula: C30H29NO4S MolecularWeight: 499.62056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(C(=O)C=C3)CCSC4=CC=CC(=C4)OCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(C(=O)C=C3)CCSC4=CC=CC(=C4)OCCCC(=O)O

InChI

InChI=1S/C30H29NO4S/c32-28-17-16-25(30(23-9-3-1-4-10-23)24-11-5-2-6-12-24)22-31(28)18-20-36-27-14-7-13-26(21-27)35-19-8-15-29(33)34/h1-7,9-14,16-17,21-22,30H,8,15,18-20H2,(H,33,34)