(4-carbamimidoylphenyl) (E)-2-methyl-3-[4-(pentan-2-ylcarbamoyl)phenyl]prop-2-enoate

Systemtic Name: (4-carbamimidoylphenyl) (E)-2-methyl-3-[4-(pentan-2-ylcarbamoyl)phenyl]prop-2-enoate Openeye Name: (4-carbamimidoylphenyl) (E)-2-methyl-3-[4-(1-methylbutylcarbamoyl)phenyl]prop-2-enoate CAS Name: (E)-2-methyl-3-[4-[oxo-(pentan-2-ylamino)methyl]phenyl]-2-propenoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) (E)-2-methyl-3-[4-(pentan-2-ylcarbamoyl)phenyl]prop-2-enoate Traditional Name: (E)-2-methyl-3-[4-(1-methylbutylcarbamoyl)phenyl]acrylic acid (4-amidinophenyl) ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC=C(C=C1)C=C(C)C(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-4-5-16(3)26-22(27)19-8-6-17(7-9-19)14-15(2)23(28)29-20-12-10-18(11-13-20)21(24)25/h6-14,16H,4-5H2,1-3H3,(H3,24,25)(H,26,27)/b15-14+