pentyl 2-carbamimidoyl-4-[[5-[(3-ethoxy-3-oxidanylidene-propyl)-phenyl-carbamoyl]-1-methyl-benzimidazol-2-yl]methylamino]-3-methoxy-benzoate

Systemtic Name: pentyl 2-carbamimidoyl-4-[[5-[(3-ethoxy-3-oxidanylidene-propyl)-phenyl-carbamoyl]-1-methyl-benzimidazol-2-yl]methylamino]-3-methoxy-benzoate Openeye Name: pentyl 2-carbamimidoyl-4-[[5-[(3-ethoxy-3-oxo-propyl)-phenyl-carbamoyl]-1-methyl-benzimidazol-2-yl]methylamino]-3-methoxy-benzoate CAS Name: 2-carbamimidoyl-4-[[5-[(N-(3-ethoxy-3-oxopropyl)anilino)-oxomethyl]-1-methyl-2-benzimidazolyl]methylamino]-3-methoxybenzoic acid pentyl ester IUPAC Name: pentyl 2-carbamimidoyl-4-[[5-[(3-ethoxy-3-oxopropyl)-phenylcarbamoyl]-1-methylbenzimidazol-2-yl]methylamino]-3-methoxybenzoate Traditional Name: 2-amidino-4-[[5-[(3-ethoxy-3-keto-propyl)-phenyl-carbamoyl]-1-methyl-benzimidazol-2-yl]methylamino]-3-methoxy-benzoic acid amyl ester Formula: C35H42N6O6 MolecularWeight: 642.74458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C(=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=C4)OC)C(=N)N

Isomeric SMILES

CCCCCOC(=O)C1=C(C(=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=C4)OC)C(=N)N

InChI

InChI=1S/C35H42N6O6/c1-5-7-11-20-47-35(44)25-15-16-26(32(45-4)31(25)33(36)37)38-22-29-39-27-21-23(14-17-28(27)40(29)3)34(43)41(19-18-30(42)46-6-2)24-12-9-8-10-13-24/h8-10,12-17,21,38H,5-7,11,18-20,22H2,1-4H3,(H3,36,37)