methyl 6-[4-[[2-acetamido-3-(4-azanyl-3-ethyl-phenyl)propanoyl]amino]butoxy]-2-oxidanyl-3-phenyl-benzoate

Systemtic Name: methyl 6-[4-[[2-acetamido-3-(4-azanyl-3-ethyl-phenyl)propanoyl]amino]butoxy]-2-oxidanyl-3-phenyl-benzoate Openeye Name: methyl 6-[4-[[2-acetamido-3-(4-amino-3-ethyl-phenyl)propanoyl]amino]butoxy]-2-hydroxy-3-phenyl-benzoate CAS Name: 6-[4-[[2-acetamido-3-(4-amino-3-ethylphenyl)-1-oxopropyl]amino]butoxy]-2-hydroxy-3-phenylbenzoic acid methyl ester IUPAC Name: methyl 6-[4-[[2-acetamido-3-(4-amino-3-ethylphenyl)propanoyl]amino]butoxy]-2-hydroxy-3-phenylbenzoate Traditional Name: 6-[4-[[2-acetamido-3-(4-amino-3-ethyl-phenyl)propanoyl]amino]butoxy]-2-hydroxy-3-phenyl-benzoic acid methyl ester Formula: C31H37N3O6 MolecularWeight: 547.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CC(C(=O)NCCCCOC2=C(C(=C(C=C2)C3=CC=CC=C3)O)C(=O)OC)NC(=O)C)N

Isomeric SMILES

CCC1=C(C=CC(=C1)CC(C(=O)NCCCCOC2=C(C(=C(C=C2)C3=CC=CC=C3)O)C(=O)OC)NC(=O)C)N

InChI

InChI=1S/C31H37N3O6/c1-4-22-18-21(12-14-25(22)32)19-26(34-20(2)35)30(37)33-16-8-9-17-40-27-15-13-24(23-10-6-5-7-11-23)29(36)28(27)31(38)39-3/h5-7,10-15,18,26,36H,4,8-9,16-17,19,32H2,1-3H3,(H,33,37)(H,34,35)