3-[4-[2-[(4-cyanophenyl)carbamoyl-heptyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[2-[(4-cyanophenyl)carbamoyl-heptyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-[(4-cyanophenyl)carbamoyl-heptyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-[[(4-cyanoanilino)-oxomethyl]-heptylamino]ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-[(4-cyanophenyl)carbamoyl-heptylamino]ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-[(4-cyanophenyl)carbamoyl-heptyl-amino]ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C28H37N3O5 MolecularWeight: 495.61048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C28H37N3O5/c1-3-5-6-7-8-17-31(28(34)30-24-13-9-23(21-29)10-14-24)18-19-36-25-15-11-22(12-16-25)20-26(27(32)33)35-4-2/h9-16,26H,3-8,17-20H2,1-2H3,(H,30,34)(H,32,33)