methyl 4-(4-iodophenyl)-3-[(phenylmethyl)amino]butanoate

Systemtic Name: methyl 4-(4-iodophenyl)-3-[(phenylmethyl)amino]butanoate Openeye Name: methyl 3-(benzylamino)-4-(4-iodophenyl)butanoate CAS Name: 4-(4-iodophenyl)-3-[(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 3-(benzylamino)-4-(4-iodophenyl)butanoate Traditional Name: 3-(benzylamino)-4-(4-iodophenyl)butyric acid methyl ester Formula: C18H20INO2 MolecularWeight: 409.26137

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC=C(C=C1)I)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(CC1=CC=C(C=C1)I)NCC2=CC=CC=C2

InChI

InChI=1S/C18H20INO2/c1-22-18(21)12-17(11-14-7-9-16(19)10-8-14)20-13-15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3