2-[[4-[8-(3-methylphenyl)oct-7-ynylamino]phenyl]methylamino]propanoic acid

Systemtic Name: 2-[[4-[8-(3-methylphenyl)oct-7-ynylamino]phenyl]methylamino]propanoic acid Openeye Name: 2-[[4-[8-(m-tolyl)oct-7-ynylamino]phenyl]methylamino]propanoic acid CAS Name: 2-[[4-[8-(3-methylphenyl)oct-7-ynylamino]phenyl]methylamino]propanoic acid IUPAC Name: 2-[[4-[8-(3-methylphenyl)oct-7-ynylamino]phenyl]methylamino]propanoic acid Traditional Name: 2-[[4-[8-(m-tolyl)oct-7-ynylamino]benzyl]amino]propionic acid Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CCCCCCCNC2=CC=C(C=C2)CNC(C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C#CCCCCCCNC2=CC=C(C=C2)CNC(C)C(=O)O

InChI

InChI=1S/C25H32N2O2/c1-20-10-9-12-22(18-20)11-7-5-3-4-6-8-17-26-24-15-13-23(14-16-24)19-27-21(2)25(28)29/h9-10,12-16,18,21,26-27H,3-6,8,17,19H2,1-2H3,(H,28,29)