N-(3-azanylpropyl)-3,4-dimethoxy-N-[[3-(2-phenoxyethanoylamino)phenyl]methyl]benzamide

Systemtic Name: N-(3-azanylpropyl)-3,4-dimethoxy-N-[[3-(2-phenoxyethanoylamino)phenyl]methyl]benzamide Openeye Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]benzamide CAS Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]benzamide IUPAC Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]benzamide Traditional Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[3-[(2-phenoxyacetyl)amino]benzyl]benzamide Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3)OC

InChI

InChI=1S/C27H31N3O5/c1-33-24-13-12-21(17-25(24)34-2)27(32)30(15-7-14-28)18-20-8-6-9-22(16-20)29-26(31)19-35-23-10-4-3-5-11-23/h3-6,8-13,16-17H,7,14-15,18-19,28H2,1-2H3,(H,29,31)