N-(3-azanylpropyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-(3-aminopropyl)-N-[2-chloro-5-[(2-phenoxyacetyl)amino]benzyl]-3,4-dimethoxy-benzamide Formula: C27H30ClN3O5 MolecularWeight: 511.9972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN3O5/c1-34-24-12-9-19(16-25(24)35-2)27(33)31(14-6-13-29)17-20-15-21(10-11-23(20)28)30-26(32)18-36-22-7-4-3-5-8-22/h3-5,7-12,15-16H,6,13-14,17-18,29H2,1-2H3,(H,30,32)