3-[1-[[(2S)-2-acetamido-3-cyclohexa-1,5-dien-1-yl-propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide

Systemtic Name: 3-[1-[[(2S)-2-acetamido-3-cyclohexa-1,5-dien-1-yl-propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide Openeye Name: 3-[1-[[(2S)-2-acetamido-3-cyclohexa-1,5-dien-1-yl-propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide CAS Name: 3-[1-[[(2S)-2-acetamido-3-(1-cyclohexa-1,5-dienyl)-1-oxopropyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide IUPAC Name: 3-[1-[[(2S)-2-acetamido-3-cyclohexa-1,5-dien-1-ylpropanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide Traditional Name: 3-[1-[[(2S)-2-acetamido-3-cyclohexa-1,5-dien-1-yl-propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1OCC2CCCCC2)C(=O)N)NC(=O)C(CC3=CCCC=C3)NC(=O)C

Isomeric SMILES

CC(C1=CC=CC(=C1OCC2CCCCC2)C(=O)N)NC(=O)[C@H](CC3=CCCC=C3)NC(=O)C

InChI

InChI=1S/C27H37N3O4/c1-18(29-27(33)24(30-19(2)31)16-20-10-5-3-6-11-20)22-14-9-15-23(26(28)32)25(22)34-17-21-12-7-4-8-13-21/h5,9-11,14-15,18,21,24H,3-4,6-8,12-13,16-17H2,1-2H3,(H2,28,32)(H,29,33)(H,30,31)/t18?,24-/m0/s1