1-(2-azanyl-1-morpholin-4-yl-2-oxidanylidene-ethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 1-(2-azanyl-1-morpholin-4-yl-2-oxidanylidene-ethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 1-(2-amino-1-morpholino-2-oxo-ethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 1-[2-amino-1-(4-morpholinyl)-2-oxoethyl]-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 1-(2-amino-2-keto-1-morpholino-ethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C25H29N3O7 MolecularWeight: 483.51366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(CN2C(C(=O)N)N3CCOCC3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(CN2C(C(=O)N)N3CCOCC3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C25H29N3O7/c1-32-17-5-2-15(3-6-17)22-21(25(30)31)18(16-4-7-19-20(12-16)35-14-34-19)13-28(22)24(23(26)29)27-8-10-33-11-9-27/h2-7,12,18,21-22,24H,8-11,13-14H2,1H3,(H2,26,29)(H,30,31)