naphthalen-2-yl (E)-3-[4-[bis(azanyl)methylideneamino]-2-carbamimidoyl-phenyl]pent-2-enoate

Systemtic Name: naphthalen-2-yl (E)-3-[4-[bis(azanyl)methylideneamino]-2-carbamimidoyl-phenyl]pent-2-enoate Openeye Name: 2-naphthyl (E)-3-(2-carbamimidoyl-4-guanidino-phenyl)pent-2-enoate CAS Name: (E)-3-[2-carbamimidoyl-4-(diaminomethylideneamino)phenyl]-2-pentenoic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl (E)-3-[2-carbamimidoyl-4-(diaminomethylideneamino)phenyl]pent-2-enoate Traditional Name: (E)-3-(2-amidino-4-guanidino-phenyl)pent-2-enoic acid 2-naphthyl ester Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(=O)OC1=CC2=CC=CC=C2C=C1)C3=C(C=C(C=C3)N=C(N)N)C(=N)N

Isomeric SMILES

CC/C(=C\C(=O)OC1=CC2=CC=CC=C2C=C1)/C3=C(C=C(C=C3)N=C(N)N)C(=N)N

InChI

InChI=1S/C23H23N5O2/c1-2-14(19-10-8-17(28-23(26)27)13-20(19)22(24)25)12-21(29)30-18-9-7-15-5-3-4-6-16(15)11-18/h3-13H,2H2,1H3,(H3,24,25)(H4,26,27,28)/b14-12+