4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(1-oxidanylidene-1-phenylazanyl-hexan-2-yl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(1-oxidanylidene-1-phenylazanyl-hexan-2-yl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[1-(phenylcarbamoyl)pentyl]pyrrolidine-3-carboxylic acid CAS Name: 1-(1-anilino-1-oxohexan-2-yl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 1-(1-anilino-1-oxohexan-2-yl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[1-(phenylcarbamoyl)pentyl]pyrrolidine-3-carboxylic acid Formula: C31H34N2O6 MolecularWeight: 530.61146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC=CC=C1)N2CC(C(C2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCC(C(=O)NC1=CC=CC=C1)N2CC(C(C2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H34N2O6/c1-3-4-10-25(30(34)32-22-8-6-5-7-9-22)33-18-24(21-13-16-26-27(17-21)39-19-38-26)28(31(35)36)29(33)20-11-14-23(37-2)15-12-20/h5-9,11-17,24-25,28-29H,3-4,10,18-19H2,1-2H3,(H,32,34)(H,35,36)