(4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-oxidanyl-phenyl]-2-methyl-prop-2-enoate

Systemtic Name: (4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-oxidanyl-phenyl]-2-methyl-prop-2-enoate Openeye Name: (4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-hydroxy-phenyl]-2-methyl-prop-2-enoate CAS Name: (E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-methyl-2-propenoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-methylprop-2-enoate Traditional Name: (E)-3-[4-(diethylamino)-2-hydroxy-phenyl]-2-methyl-acrylic acid (4-amidinophenyl) ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=C(C)C(=O)OC2=CC=C(C=C2)C(=N)N)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-4-24(5-2)17-9-6-16(19(25)13-17)12-14(3)21(26)27-18-10-7-15(8-11-18)20(22)23/h6-13,25H,4-5H2,1-3H3,(H3,22,23)/b14-12+