(2S)-4-(ethylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(ethylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(ethylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxo-butanoic acid CAS Name: (2S)-4-(ethylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxobutanoic acid IUPAC Name: (2S)-4-(ethylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxobutanoic acid Traditional Name: (2S)-4-(ethylamino)-4-keto-2-[4-(5-methylhexoxy)phenyl]butyric acid Formula: C19H29NO4 MolecularWeight: 335.43786

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CC(C1=CC=C(C=C1)OCCCCC(C)C)C(=O)O

Isomeric SMILES

CCNC(=O)C[C@@H](C1=CC=C(C=C1)OCCCCC(C)C)C(=O)O

InChI

InChI=1S/C19H29NO4/c1-4-20-18(21)13-17(19(22)23)15-8-10-16(11-9-15)24-12-6-5-7-14(2)3/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,20,21)(H,22,23)/t17-/m0/s1