(E)-3-[2-carbamimidoyl-3-[(2-naphthalen-2-yloxycarbonylfuran-3-yl)methylcarbamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-carbamimidoyl-3-[(2-naphthalen-2-yloxycarbonylfuran-3-yl)methylcarbamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-carbamimidoyl-3-[[2-(2-naphthyloxycarbonyl)-3-furyl]methylcarbamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-carbamimidoyl-3-[[[2-[2-naphthalenyloxy(oxo)methyl]-3-furanyl]methylamino]-oxomethyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-carbamimidoyl-3-[(2-naphthalen-2-yloxycarbonylfuran-3-yl)methylcarbamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-amidino-3-[[2-(2-naphthoxycarbonyl)-3-furyl]methylcarbamoyl]phenyl]acrylic acid Formula: C27H21N3O6 MolecularWeight: 483.47214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=C(C=CO3)CNC(=O)C4=CC=CC(=C4C(=N)N)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=C(C=CO3)CNC(=O)C4=CC=CC(=C4C(=N)N)/C=C/C(=O)O

InChI

InChI=1S/C27H21N3O6/c28-25(29)23-17(9-11-22(31)32)6-3-7-21(23)26(33)30-15-19-12-13-35-24(19)27(34)36-20-10-8-16-4-1-2-5-18(16)14-20/h1-14H,15H2,(H3,28,29)(H,30,33)(H,31,32)/b11-9+