2-[[4-(methylamino)-4-oxidanylidene-butyl]-(2-pyridin-2-ylethyl)carbamoyl]oxy-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(methylamino)-4-oxidanylidene-butyl]-(2-pyridin-2-ylethyl)carbamoyl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[[4-(methylamino)-4-oxo-butyl]-[2-(2-pyridyl)ethyl]carbamoyl]oxy-3-phenyl-propanoic acid CAS Name: 2-[[[4-(methylamino)-4-oxobutyl]-[2-(2-pyridinyl)ethyl]amino]-oxomethoxy]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(methylamino)-4-oxobutyl]-(2-pyridin-2-ylethyl)carbamoyl]oxy-3-phenylpropanoic acid Traditional Name: 2-[[4-keto-4-(methylamino)butyl]-[2-(2-pyridyl)ethyl]carbamoyl]oxy-3-phenyl-propionic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCCN(CCC1=CC=CC=N1)C(=O)OC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CNC(=O)CCCN(CCC1=CC=CC=N1)C(=O)OC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H27N3O5/c1-23-20(26)11-7-14-25(15-12-18-10-5-6-13-24-18)22(29)30-19(21(27)28)16-17-8-3-2-4-9-17/h2-6,8-10,13,19H,7,11-12,14-16H2,1H3,(H,23,26)(H,27,28)