(3S,4R)-3-azaniumyl-5-(9H-fluoren-9-ylmethoxy)-4-(3-methylphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: (3S,4R)-3-azaniumyl-5-(9H-fluoren-9-ylmethoxy)-4-(3-methylphenyl)-5-oxidanylidene-pentanoate Openeye Name: (3S,4R)-3-azaniumyl-5-(9H-fluoren-9-ylmethoxy)-4-(m-tolyl)-5-oxo-pentanoate CAS Name: (3S,4R)-3-ammonio-5-(9H-fluoren-9-ylmethoxy)-4-(3-methylphenyl)-5-oxopentanoate IUPAC Name: (3S,4R)-3-azaniumyl-5-(9H-fluoren-9-ylmethoxy)-4-(3-methylphenyl)-5-oxopentanoate Traditional Name: (3S,4R)-3-ammonio-5-(9H-fluoren-9-ylmethoxy)-5-keto-4-(m-tolyl)valerate Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(CC(=O)[O-])[NH3+])C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC1=CC(=CC=C1)[C@H]([C@H](CC(=O)[O-])[NH3+])C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C26H25NO4/c1-16-7-6-8-17(13-16)25(23(27)14-24(28)29)26(30)31-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23,25H,14-15,27H2,1H3,(H,28,29)/t23-,25+/m0/s1