methoxymethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-propan-2-yl-phenyl]benzoate

Systemtic Name: methoxymethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-propan-2-yl-phenyl]benzoate Openeye Name: methoxymethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-isopropyl-phenyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-propan-2-ylphenyl]benzoic acid methoxymethyl ester IUPAC Name: methoxymethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-propan-2-ylphenyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-isopropyl-phenyl]benzoic acid methoxymethyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)OCOC)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)OCOC)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H27N3O4/c1-16(2)18-10-13-21(20-6-4-5-7-22(20)26(31)33-15-32-3)23(14-18)25(30)29-19-11-8-17(9-12-19)24(27)28/h4-14,16H,15H2,1-3H3,(H3,27,28)(H,29,30)