(2S)-4-methyl-2-[[4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methylazaniumyl]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methylazaniumyl]pentanoate Openeye Name: (2S)-2-[(3-benzyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylammonio]-4-methyl-pentanoate CAS Name: (2S)-2-[[7-hydroxy-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-8-yl]methylammonio]-4-methylpentanoate IUPAC Name: (2S)-2-[(3-benzyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methylazaniumyl]-4-methylpentanoate Traditional Name: (2S)-2-[(3-benzyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylammonio]-4-methyl-valerate Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C(CC(C)C)C(=O)[O-])O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+][C@@H](CC(C)C)C(=O)[O-])O)CC3=CC=CC=C3

InChI

InChI=1S/C24H27NO5/c1-14(2)11-20(23(27)28)25-13-19-21(26)10-9-17-15(3)18(24(29)30-22(17)19)12-16-7-5-4-6-8-16/h4-10,14,20,25-26H,11-13H2,1-3H3,(H,27,28)/t20-/m0/s1