methyl 2-[[5-chloranyl-4-[5-(methylamino)pentyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[5-chloranyl-4-[5-(methylamino)pentyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[5-chloro-2-hydroxy-4-[5-(methylamino)pentyl]benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[5-chloro-2-hydroxy-4-[5-(methylamino)pentyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[5-chloro-2-hydroxy-4-[5-(methylamino)pentyl]benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[5-chloro-2-hydroxy-4-[5-(methylamino)pentyl]benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H29ClN2O4 MolecularWeight: 432.94036

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCCC1=C(C=C(C(=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)Cl

Isomeric SMILES

CNCCCCCC1=C(C=C(C(=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)Cl

InChI

InChI=1S/C23H29ClN2O4/c1-25-12-8-4-7-11-17-14-21(27)18(15-19(17)24)22(28)26-20(23(29)30-2)13-16-9-5-3-6-10-16/h3,5-6,9-10,14-15,20,25,27H,4,7-8,11-13H2,1-2H3,(H,26,28)