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

Systemtic Name: 1-(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(1-carbamoyl-2-methyl-propyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 1-(1-amino-3-methyl-1-oxobutan-2-yl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 1-(1-amino-3-methyl-1-oxobutan-2-yl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(1-carbamoyl-2-methyl-propyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)N1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C(C(=O)N)N1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N2O6/c1-13(2)21(23(25)27)26-11-17(15-6-9-18-19(10-15)32-12-31-18)20(24(28)29)22(26)14-4-7-16(30-3)8-5-14/h4-10,13,17,20-22H,11-12H2,1-3H3,(H2,25,27)(H,28,29)