3-azanyl-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-pentanoyloxy-propanoic acid

Systemtic Name: 3-azanyl-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-pentanoyloxy-propanoic acid Openeye Name: 3-amino-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-pentanoyloxy-propanoic acid CAS Name: 3-amino-3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]phenyl]-2-(1-oxopentoxy)propanoic acid IUPAC Name: 3-amino-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-pentanoyloxypropanoic acid Traditional Name: 3-amino-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-valeryloxy-propionic acid Formula: C29H41N3O5 MolecularWeight: 511.65294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)C(C(C(=O)O)OC(=O)CCCC)N

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)C(C(C(=O)O)OC(=O)CCCC)N

InChI

InChI=1S/C29H41N3O5/c1-4-6-8-9-10-19-31-29(36)32(3)24-13-11-12-23(20-24)21-15-17-22(18-16-21)26(30)27(28(34)35)37-25(33)14-7-5-2/h11-13,15-18,20,26-27H,4-10,14,19,30H2,1-3H3,(H,31,36)(H,34,35)