(1R,6S)-6-[(6-methoxy-2-morpholin-4-yl-pyridin-3-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(6-methoxy-2-morpholin-4-yl-pyridin-3-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(6-methoxy-2-morpholino-3-pyridyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[[6-methoxy-2-(4-morpholinyl)-3-pyridinyl]amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(6-methoxy-2-morpholin-4-ylpyridin-3-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(6-methoxy-2-morpholino-3-pyridyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=C(N=C(C=C2)OC)N3CCOCC3)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=C(N=C(C=C2)OC)N3CCOCC3)C(=O)O)C

InChI

InChI=1S/C20H27N3O5/c1-12-10-14(15(20(25)26)11-13(12)2)19(24)21-16-4-5-17(27-3)22-18(16)23-6-8-28-9-7-23/h4-5,14-15H,6-11H2,1-3H3,(H,21,24)(H,25,26)/t14-,15+/m0/s1