tert-butyl 4-[[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-3-(2-methylphenyl)phenyl]methoxy]-4-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-3-(2-methylphenyl)phenyl]methoxy]-4-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)carbamoyl]-3-(o-tolyl)phenyl]methoxy]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[[4-[[[1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3-(2-methylphenyl)phenyl]methoxy]-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]-3-(2-methylphenyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[4-[[1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-3-(o-tolyl)benzyl]oxy-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C37H46N2O6S MolecularWeight: 646.83594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC3(CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC3(CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C37H46N2O6S/c1-26-12-10-11-15-29(26)31-24-27(16-17-30(31)33(40)38-32(18-23-46-6)34(41)43-5)25-44-37(28-13-8-7-9-14-28)19-21-39(22-20-37)35(42)45-36(2,3)4/h7-17,24,32H,18-23,25H2,1-6H3,(H,38,40)