ethyl 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-(1-ethanimidoylpiperidin-4-yl)oxy-benzoate

Systemtic Name: ethyl 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-(1-ethanimidoylpiperidin-4-yl)oxy-benzoate Openeye Name: ethyl 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-[(1-ethanimidoyl-4-piperidyl)oxy]benzoate CAS Name: 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-[[1-(1-iminoethyl)-4-piperidinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-(1-ethanimidoylpiperidin-4-yl)oxybenzoate Traditional Name: 2-[(1-acetimidoyl-4-piperidyl)oxy]-5-[[3-(3-amidinophenyl)benzyl]amino]benzoic acid ethyl ester Formula: C30H35N5O3 MolecularWeight: 513.6306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NCC2=CC=CC(=C2)C3=CC(=CC=C3)C(=N)N)OC4CCN(CC4)C(=N)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NCC2=CC=CC(=C2)C3=CC(=CC=C3)C(=N)N)OC4CCN(CC4)C(=N)C

InChI

InChI=1S/C30H35N5O3/c1-3-37-30(36)27-18-25(10-11-28(27)38-26-12-14-35(15-13-26)20(2)31)34-19-21-6-4-7-22(16-21)23-8-5-9-24(17-23)29(32)33/h4-11,16-18,26,31,34H,3,12-15,19H2,1-2H3,(H3,32,33)