methyl 2-[[4-[6-(methylamino)hexyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[4-[6-(methylamino)hexyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-hydroxy-4-[6-(methylamino)hexyl]benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-hydroxy-4-[6-(methylamino)hexyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-hydroxy-4-[6-(methylamino)hexyl]benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-hydroxy-4-[6-(methylamino)hexyl]benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCCCC1=CC(=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CNCCCCCCC1=CC(=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C24H32N2O4/c1-25-15-9-4-3-6-12-19-13-14-20(22(27)17-19)23(28)26-21(24(29)30-2)16-18-10-7-5-8-11-18/h5,7-8,10-11,13-14,17,21,25,27H,3-4,6,9,12,15-16H2,1-2H3,(H,26,28)