tert-butyl (E)-3-[2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]phenyl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]phenyl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]phenyl]prop-2-enoate CAS Name: (E)-3-[2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]phenyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[2-[2-[(4-amidinophenyl)carbamoyl]phenyl]phenyl]acrylic acid tert-butyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=CC=CC=C1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=CC=CC=C1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H27N3O3/c1-27(2,3)33-24(31)17-14-18-8-4-5-9-21(18)22-10-6-7-11-23(22)26(32)30-20-15-12-19(13-16-20)25(28)29/h4-17H,1-3H3,(H3,28,29)(H,30,32)/b17-14+