(3S)-1-[3-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[3-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[3-(7,8-dimethoxy-4-methyl-2-oxo-chromen-3-yl)propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(7,8-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[3-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(2-keto-7,8-dimethoxy-4-methyl-chromen-3-yl)propanoyl]nipecotate Formula: C21H24NO7- MolecularWeight: 402.41776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CCC(=O)N3CCCC(C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CCC(=O)N3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C21H25NO7/c1-12-14-6-8-16(27-2)19(28-3)18(14)29-21(26)15(12)7-9-17(23)22-10-4-5-13(11-22)20(24)25/h6,8,13H,4-5,7,9-11H2,1-3H3,(H,24,25)/p-1/t13-/m0/s1