(2S)-2-methyl-4-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)amino]-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: (2S)-2-methyl-4-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: (2S)-4-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)amino]-2-methyl-4-oxo-2-phenyl-butanoic acid CAS Name: (2S)-4-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)amino]-2-methyl-4-oxo-2-phenylbutanoic acid IUPAC Name: (2S)-4-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)amino]-2-methyl-4-oxo-2-phenylbutanoic acid Traditional Name: (2S)-4-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)amino]-4-keto-2-methyl-2-phenyl-butyric acid Formula: C21H23NO5 MolecularWeight: 369.41102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=O)CC(C)(C3=CC=CC=C3)C(=O)O)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=O)C[C@@](C)(C3=CC=CC=C3)C(=O)O)CC2OC(=C1)O

InChI

InChI=1S/C21H23NO5/c1-13-10-19(24)27-17-11-15(8-9-16(13)17)22-18(23)12-21(2,20(25)26)14-6-4-3-5-7-14/h3-7,10,17,24H,8-9,11-12H2,1-2H3,(H,25,26)/t17?,21-/m0/s1