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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-3-11(2)17(19(23)24)21-10-15-16(22)9-8-13-12-6-4-5-7-14(12)20(25)26-18(13)15/h4-9,11,17,21-22H,3,10H2,1-2H3,(H,23,24)/t11-,17+/m0/s1