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

Systemtic Name: 1-[(2S)-2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-2-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-2-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-1-oxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]butanoyl]isonipecotic acid Formula: C24H30N2O7 MolecularWeight: 458.5042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC(CC1)C(=O)O)NC(=O)CCC2=C(C3=C(C=C(C=C3)OC)OC2=O)C

Isomeric SMILES

CC[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)CCC2=C(C3=C(C=C(C=C3)OC)OC2=O)C

InChI

InChI=1S/C24H30N2O7/c1-4-19(22(28)26-11-9-15(10-12-26)23(29)30)25-21(27)8-7-18-14(2)17-6-5-16(32-3)13-20(17)33-24(18)31/h5-6,13,15,19H,4,7-12H2,1-3H3,(H,25,27)(H,29,30)/t19-/m0/s1