2-azanyl-3-[4-[3,3-diethyl-4-oxidanylidene-1-[(phenylmethyl)carbamoyl]azetidin-2-yl]oxyphenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[3,3-diethyl-4-oxidanylidene-1-[(phenylmethyl)carbamoyl]azetidin-2-yl]oxyphenyl]propanoic acid Openeye Name: 2-amino-3-[4-[1-(benzylcarbamoyl)-3,3-diethyl-4-oxo-azetidin-2-yl]oxyphenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3,3-diethyl-4-oxo-1-[oxo-[(phenylmethyl)amino]methyl]-2-azetidinyl]oxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyphenyl]propanoic acid Traditional Name: 2-amino-3-[4-[1-(benzylcarbamoyl)-3,3-diethyl-4-keto-azetidin-2-yl]oxyphenyl]propionic acid Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)CC(C(=O)O)N)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)CC(C(=O)O)N)CC

InChI

InChI=1S/C24H29N3O5/c1-3-24(4-2)21(30)27(23(31)26-15-17-8-6-5-7-9-17)22(24)32-18-12-10-16(11-13-18)14-19(25)20(28)29/h5-13,19,22H,3-4,14-15,25H2,1-2H3,(H,26,31)(H,28,29)