(2S)-1-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-2-carboxylic acid

Systemtic Name: (2S)-1-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-2-carboxylic acid Openeye Name: (2S)-1-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoyl]piperidine-2-carboxylic acid CAS Name: (2S)-1-[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-2-piperidinecarboxylic acid IUPAC Name: (2S)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoyl]pipecolinic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCCC[C@H]3C(=O)O

InChI

InChI=1S/C20H23NO6/c1-12-14-7-6-13(26-2)11-17(14)27-20(25)15(12)8-9-18(22)21-10-4-3-5-16(21)19(23)24/h6-7,11,16H,3-5,8-10H2,1-2H3,(H,23,24)/t16-/m0/s1