3-(3-anthracen-9-yl-2-azanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)cyclobutane-1-carboxylic acid

Systemtic Name: 3-(3-anthracen-9-yl-2-azanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)cyclobutane-1-carboxylic acid Openeye Name: 3-[1-amino-1-(9-anthrylmethyl)-2-hydroxy-2-oxo-ethyl]cyclobutanecarboxylic acid CAS Name: 3-[2-amino-3-(9-anthracenyl)-1-hydroxy-1-oxopropan-2-yl]-1-cyclobutanecarboxylic acid IUPAC Name: 3-(2-amino-3-anthracen-9-yl-1-hydroxy-1-oxopropan-2-yl)cyclobutane-1-carboxylic acid Traditional Name: 3-[1-amino-1-(9-anthrylmethyl)-2-hydroxy-2-keto-ethyl]cyclobutanecarboxylic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1C(CC2=C3C=CC=CC3=CC4=CC=CC=C42)(C(=O)O)N)C(=O)O

Isomeric SMILES

C1C(CC1C(CC2=C3C=CC=CC3=CC4=CC=CC=C42)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C22H21NO4/c23-22(21(26)27,16-10-15(11-16)20(24)25)12-19-17-7-3-1-5-13(17)9-14-6-2-4-8-18(14)19/h1-9,15-16H,10-12,23H2,(H,24,25)(H,26,27)