(4-carbamimidoylphenyl) 4-[(Z)-3-[hexyl(propan-2-yl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[hexyl(propan-2-yl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[hexyl(isopropyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(Z)-3-[hexyl(propan-2-yl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[hexyl(propan-2-yl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(Z)-3-[hexyl(isopropyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(C)C)C(=O)C(=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

CCCCCCN(C(C)C)C(=O)/C(=C\C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C

InChI

InChI=1S/C27H35N3O3/c1-5-6-7-8-17-30(19(2)3)26(31)20(4)18-21-9-11-23(12-10-21)27(32)33-24-15-13-22(14-16-24)25(28)29/h9-16,18-19H,5-8,17H2,1-4H3,(H3,28,29)/b20-18-