methyl 2-[(1S)-1-(3-aminophenyl)propyl]-5-oxidanyl-3-oxidanylidene-5-propyl-octanoate

Systemtic Name: methyl 2-[(1S)-1-(3-aminophenyl)propyl]-5-oxidanyl-3-oxidanylidene-5-propyl-octanoate Openeye Name: methyl 2-[(1S)-1-(3-aminophenyl)propyl]-5-hydroxy-3-oxo-5-propyl-octanoate CAS Name: 2-[(1S)-1-(3-aminophenyl)propyl]-5-hydroxy-3-oxo-5-propyloctanoic acid methyl ester IUPAC Name: methyl 2-[(1S)-1-(3-aminophenyl)propyl]-5-hydroxy-3-oxo-5-propyloctanoate Traditional Name: 2-[(1S)-1-(3-aminophenyl)propyl]-5-hydroxy-3-keto-5-propyl-caprylic acid methyl ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(CC(=O)C(C(CC)C1=CC(=CC=C1)N)C(=O)OC)O

Isomeric SMILES

CCCC(CCC)(CC(=O)C([C@H](CC)C1=CC(=CC=C1)N)C(=O)OC)O

InChI

InChI=1S/C21H33NO4/c1-5-11-21(25,12-6-2)14-18(23)19(20(24)26-4)17(7-3)15-9-8-10-16(22)13-15/h8-10,13,17,19,25H,5-7,11-12,14,22H2,1-4H3/t17-,19?/m1/s1