(4-carbamimidoyl-2-methoxy-phenyl) 4-[1,3-diphenylpropan-2-yl(3-phenylpropyl)carbamoyl]benzoate

Systemtic Name: (4-carbamimidoyl-2-methoxy-phenyl) 4-[1,3-diphenylpropan-2-yl(3-phenylpropyl)carbamoyl]benzoate Openeye Name: (4-carbamimidoyl-2-methoxy-phenyl) 4-[(1-benzyl-2-phenyl-ethyl)-(3-phenylpropyl)carbamoyl]benzoate CAS Name: 4-[[1,3-diphenylpropan-2-yl(3-phenylpropyl)amino]-oxomethyl]benzoic acid (4-carbamimidoyl-2-methoxyphenyl) ester IUPAC Name: (4-carbamimidoyl-2-methoxyphenyl) 4-[1,3-diphenylpropan-2-yl(3-phenylpropyl)carbamoyl]benzoate Traditional Name: 4-[(1-benzyl-2-phenyl-ethyl)-(3-phenylpropyl)carbamoyl]benzoic acid (4-amidino-2-methoxy-phenyl) ester Formula: C40H39N3O4 MolecularWeight: 625.75536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=N)N)OC(=O)C2=CC=C(C=C2)C(=O)N(CCCC3=CC=CC=C3)C(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=N)N)OC(=O)C2=CC=C(C=C2)C(=O)N(CCCC3=CC=CC=C3)C(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C40H39N3O4/c1-46-37-28-34(38(41)42)23-24-36(37)47-40(45)33-21-19-32(20-22-33)39(44)43(25-11-18-29-12-5-2-6-13-29)35(26-30-14-7-3-8-15-30)27-31-16-9-4-10-17-31/h2-10,12-17,19-24,28,35H,11,18,25-27H2,1H3,(H3,41,42)