2-(1-adamantylmethyl)aniline; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(1-adamantylmethyl)aniline; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-(1-adamantylmethyl)aniline; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-(1-adamantylmethyl)aniline; 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(1-adamantylmethyl)aniline; 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: [2-(1-adamantylmethyl)phenyl]amine; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C37H46N2O3S MolecularWeight: 598.83774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.C1C2CC3CC1CC(C2)(C3)CC4=CC=CC=C4N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.C1C2CC3CC1CC(C2)(C3)CC4=CC=CC=C4N

InChI

InChI=1S/C20H23NO3S.C17H23N/c1-13-8-9-16(17(12-13)15-7-5-4-6-14(15)2)19(22)21-18(20(23)24)10-11-25-3;18-16-4-2-1-3-15(16)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);1-4,12-14H,5-11,18H2