(2R)-4-methyl-2-[(3-oxidanyl-6-oxidanylidene-benzo[c]chromen-4-yl)methylazaniumyl]pentanoate

Systemtic Name: (2R)-4-methyl-2-[(3-oxidanyl-6-oxidanylidene-benzo[c]chromen-4-yl)methylazaniumyl]pentanoate Openeye Name: (2R)-2-[(3-hydroxy-6-oxo-benzo[c]chromen-4-yl)methylammonio]-4-methyl-pentanoate CAS Name: (2R)-2-[(3-hydroxy-6-oxo-4-benzo[c][1]benzopyranyl)methylammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[(3-hydroxy-6-oxobenzo[c]chromen-4-yl)methylazaniumyl]-4-methylpentanoate Traditional Name: (2R)-2-[(3-hydroxy-6-keto-benzo[c]chromen-4-yl)methylammonio]-4-methyl-valerate Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)O

Isomeric SMILES

CC(C)C[C@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)O

InChI

InChI=1S/C20H21NO5/c1-11(2)9-16(19(23)24)21-10-15-17(22)8-7-13-12-5-3-4-6-14(12)20(25)26-18(13)15/h3-8,11,16,21-22H,9-10H2,1-2H3,(H,23,24)/t16-/m1/s1