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

Systemtic Name: methyl 2-[[4-[5-(methylamino)pentyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-hydroxy-4-[5-(methylamino)pentyl]benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-hydroxy-4-[5-(methylamino)pentyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-hydroxy-4-[5-(methylamino)pentyl]benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-hydroxy-4-[5-(methylamino)pentyl]benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-24-14-8-4-7-11-18-12-13-19(21(26)16-18)22(27)25-20(23(28)29-2)15-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,16,20,24,26H,4,7-8,11,14-15H2,1-2H3,(H,25,27)