2-[(4-carbamimidoylphenyl)amino]-3-(3,4-dimethoxyphenoxy)-N-(phenylmethyl)propanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-3-(3,4-dimethoxyphenoxy)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-(4-carbamimidoylanilino)-3-(3,4-dimethoxyphenoxy)propanamide CAS Name: 2-(4-carbamimidoylanilino)-3-(3,4-dimethoxyphenoxy)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-(4-carbamimidoylanilino)-3-(3,4-dimethoxyphenoxy)propanamide Traditional Name: 2-(4-amidinoanilino)-N-benzyl-3-(3,4-dimethoxyphenoxy)propionamide Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OCC(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)OCC(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OC

InChI

InChI=1S/C25H28N4O4/c1-31-22-13-12-20(14-23(22)32-2)33-16-21(25(30)28-15-17-6-4-3-5-7-17)29-19-10-8-18(9-11-19)24(26)27/h3-14,21,29H,15-16H2,1-2H3,(H3,26,27)(H,28,30)