[(2S)-1-oxidanylidene-1-phenylazanyl-butan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-butan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: [(1S)-1-(phenylcarbamoyl)propyl] 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic acid [(2S)-1-anilino-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxobutan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid [(1S)-1-(phenylcarbamoyl)propyl] ester Formula: C23H21NO3 MolecularWeight: 359.41774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C23H21NO3/c1-2-20(22(25)24-17-8-4-3-5-9-17)27-23(26)19-14-13-16-12-11-15-7-6-10-18(19)21(15)16/h3-10,13-14,20H,2,11-12H2,1H3,(H,24,25)/t20-/m0/s1