(4-carbamimidoylphenyl) 4-[(E)-3-[2-hydroxyethyl-(phenylmethyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-3-[2-hydroxyethyl-(phenylmethyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-[benzyl(2-hydroxyethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-hydroxyethyl-(phenylmethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-[benzyl(2-hydroxyethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[benzyl(2-hydroxyethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C(=O)N(CCO)CC3=CC=CC=C3

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C(=O)N(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O4/c1-19(26(32)30(15-16-31)18-21-5-3-2-4-6-21)17-20-7-9-23(10-8-20)27(33)34-24-13-11-22(12-14-24)25(28)29/h2-14,17,31H,15-16,18H2,1H3,(H3,28,29)/b19-17+