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

Systemtic Name: 3-[1-[[(2S)-2-acetamido-3-cyclohexa-1,5-dien-1-yl-propanoyl]amino]-2-phenyl-ethyl]-2-(cyclohexylmethoxy)benzamide Openeye Name: 3-[1-[[(2S)-2-acetamido-3-cyclohexa-1,5-dien-1-yl-propanoyl]amino]-2-phenyl-ethyl]-2-(cyclohexylmethoxy)benzamide CAS Name: 3-[1-[[(2S)-2-acetamido-3-(1-cyclohexa-1,5-dienyl)-1-oxopropyl]amino]-2-phenylethyl]-2-(cyclohexylmethoxy)benzamide IUPAC Name: 3-[1-[[(2S)-2-acetamido-3-cyclohexa-1,5-dien-1-ylpropanoyl]amino]-2-phenylethyl]-2-(cyclohexylmethoxy)benzamide Traditional Name: 3-[1-[[(2S)-2-acetamido-3-cyclohexa-1,5-dien-1-yl-propanoyl]amino]-2-phenyl-ethyl]-2-(cyclohexylmethoxy)benzamide Formula: C33H41N3O4 MolecularWeight: 543.69634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CCCC=C1)C(=O)NC(CC2=CC=CC=C2)C3=CC=CC(=C3OCC4CCCCC4)C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CCCC=C1)C(=O)NC(CC2=CC=CC=C2)C3=CC=CC(=C3OCC4CCCCC4)C(=O)N

InChI

InChI=1S/C33H41N3O4/c1-23(37)35-30(21-25-14-7-3-8-15-25)33(39)36-29(20-24-12-5-2-6-13-24)27-18-11-19-28(32(34)38)31(27)40-22-26-16-9-4-10-17-26/h2,5-7,11-15,18-19,26,29-30H,3-4,8-10,16-17,20-22H2,1H3,(H2,34,38)(H,35,37)(H,36,39)/t29?,30-/m0/s1