ethyl 5-[4-[[(4-chlorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]pentanoate

Systemtic Name: ethyl 5-[4-[[(4-chlorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]pentanoate Openeye Name: ethyl 5-[4-[[(4-chlorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]pentanoate CAS Name: 5-[4-[[[(4-chloroanilino)-oxomethyl]-heptylamino]methyl]phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[[(4-chlorophenyl)carbamoyl-heptylamino]methyl]phenoxy]pentanoate Traditional Name: 5-[4-[[(4-chlorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]valeric acid ethyl ester Formula: C28H39ClN2O4 MolecularWeight: 503.07326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)OCCCCC(=O)OCC)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OCCCCC(=O)OCC)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C28H39ClN2O4/c1-3-5-6-7-9-20-31(28(33)30-25-16-14-24(29)15-17-25)22-23-12-18-26(19-13-23)35-21-10-8-11-27(32)34-4-2/h12-19H,3-11,20-22H2,1-2H3,(H,30,33)