(1R,6S)-3,4-dimethyl-6-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-3,4-dimethyl-6-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-3,4-dimethyl-6-[(4-morpholinophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-3,4-dimethyl-6-[[4-(4-morpholinyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-3,4-dimethyl-6-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-3,4-dimethyl-6-[(4-morpholinophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4/c1-13-11-17(18(20(24)25)12-14(13)2)19(23)21-15-3-5-16(6-4-15)22-7-9-26-10-8-22/h3-6,17-18H,7-12H2,1-2H3,(H,21,23)(H,24,25)/t17-,18+/m0/s1