(3R)-1-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[3-(7-methoxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[3-(7-methoxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoyl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[3-(2-keto-7-methoxy-4,8-dimethyl-chromen-3-yl)propanoyl]nipecotic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CCC(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CCC(=O)N3CCC[C@H](C3)C(=O)O

InChI

InChI=1S/C21H25NO6/c1-12-15-6-8-17(27-3)13(2)19(15)28-21(26)16(12)7-9-18(23)22-10-4-5-14(11-22)20(24)25/h6,8,14H,4-5,7,9-11H2,1-3H3,(H,24,25)/t14-/m1/s1