3-[4-[(3-cyanophenoxy)methyl]-2-[[1-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[1-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[1-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[[1-(7-methoxy-1,3-benzodioxol-5-yl)-3-methylbutyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[1-(7-methoxy-1,3-benzodioxol-5-yl)-3-methylbutyl]carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[1-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-butyl]carbamoyl]phenyl]propionic acid Formula: C31H32N2O7 MolecularWeight: 544.59498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC2=C(C(=C1)OC)OCO2)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC(=C4)C#N)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC2=C(C(=C1)OC)OCO2)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC(=C4)C#N)CCC(=O)O

InChI

InChI=1S/C31H32N2O7/c1-19(2)11-26(23-14-27(37-3)30-28(15-23)39-18-40-30)33-31(36)25-13-21(7-8-22(25)9-10-29(34)35)17-38-24-6-4-5-20(12-24)16-32/h4-8,12-15,19,26H,9-11,17-18H2,1-3H3,(H,33,36)(H,34,35)