N-[4-[[[3-(aminomethyl)phenyl]methyl-cyclopropylcarbonyl-amino]methyl]phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-cyclopropylcarbonyl-amino]methyl]phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-[[[3-(aminomethyl)benzyl]-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CN)C(=O)C4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CN)C(=O)C4CC4)OC

InChI

InChI=1S/C28H31N3O4/c1-34-25-13-10-23(15-26(25)35-2)27(32)30-24-11-6-19(7-12-24)17-31(28(33)22-8-9-22)18-21-5-3-4-20(14-21)16-29/h3-7,10-15,22H,8-9,16-18,29H2,1-2H3,(H,30,32)