(3R)-5-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-5-oxidanylidene-3-phenyl-pentanoate

Systemtic Name: (3R)-5-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-5-oxidanylidene-3-phenyl-pentanoate Openeye Name: (3R)-5-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-5-oxo-3-phenyl-pentanoate CAS Name: (3R)-5-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonio]-5-oxo-3-phenylpentanoate IUPAC Name: (3R)-5-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-5-oxo-3-phenylpentanoate Traditional Name: (3R)-5-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-5-keto-3-phenyl-valerate Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CC(CC(=O)[O-])C3=CC=CC=C3)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C[C@H](CC(=O)[O-])C3=CC=CC=C3)CC2OC(=C1)O

InChI

InChI=1S/C21H23NO5/c1-13-9-21(26)27-18-12-16(7-8-17(13)18)22-19(23)10-15(11-20(24)25)14-5-3-2-4-6-14/h2-6,9,15,18,26H,7-8,10-12H2,1H3,(H,24,25)/t15-,18?/m1/s1