methyl 3-[[5-(ethoxycarbonylamino)-2-methyl-phenyl]carbamoyl-pentyl-amino]propanoate

Systemtic Name: methyl 3-[[5-(ethoxycarbonylamino)-2-methyl-phenyl]carbamoyl-pentyl-amino]propanoate Openeye Name: methyl 3-[[5-(ethoxycarbonylamino)-2-methyl-phenyl]carbamoyl-pentyl-amino]propanoate CAS Name: 3-[[[5-(ethoxycarbonylamino)-2-methylanilino]-oxomethyl]-pentylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(ethoxycarbonylamino)-2-methylphenyl]carbamoyl-pentylamino]propanoate Traditional Name: 3-[amyl-[[5-(carbethoxyamino)-2-methyl-phenyl]carbamoyl]amino]propionic acid methyl ester Formula: C20H31N3O5 MolecularWeight: 393.47724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC(=O)OC)C(=O)NC1=C(C=CC(=C1)NC(=O)OCC)C

Isomeric SMILES

CCCCCN(CCC(=O)OC)C(=O)NC1=C(C=CC(=C1)NC(=O)OCC)C

InChI

InChI=1S/C20H31N3O5/c1-5-7-8-12-23(13-11-18(24)27-4)19(25)22-17-14-16(10-9-15(17)3)21-20(26)28-6-2/h9-10,14H,5-8,11-13H2,1-4H3,(H,21,26)(H,22,25)