4-[2-[(2S,4R)-2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[(2S,4R)-2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(2S,4R)-2-ethyl-2-methyl-4-(p-tolyl)tetrahydropyran-4-yl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[(2S,4R)-2-ethyl-2-methyl-4-(4-methylphenyl)-4-oxanyl]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[(2S,4R)-2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[(2S,4R)-2-ethyl-2-methyl-4-(p-tolyl)tetrahydropyran-4-yl]ethylamino]-4-keto-butyric acid Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)(CCNC(=O)CCC(=O)O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CC[C@]1(C[C@](CCO1)(CCNC(=O)CCC(=O)O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C21H31NO4/c1-4-20(3)15-21(12-14-26-20,17-7-5-16(2)6-8-17)11-13-22-18(23)9-10-19(24)25/h5-8H,4,9-15H2,1-3H3,(H,22,23)(H,24,25)/t20-,21+/m0/s1