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

Systemtic Name: methyl 2-[[4-[4-(methylamino)butyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-hydroxy-4-[4-(methylamino)butyl]benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-hydroxy-4-[4-(methylamino)butyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-hydroxy-4-[4-(methylamino)butyl]benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-hydroxy-4-[4-(methylamino)butyl]benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCC1=CC(=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CNCCCCC1=CC(=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C22H28N2O4/c1-23-13-7-6-10-17-11-12-18(20(25)15-17)21(26)24-19(22(27)28-2)14-16-8-4-3-5-9-16/h3-5,8-9,11-12,15,19,23,25H,6-7,10,13-14H2,1-2H3,(H,24,26)