2-[5-[2-(6-carbamimidoylnaphthalen-2-yl)ethynyl]-2-methoxy-phenyl]ethylcarbamic acid

Systemtic Name: 2-[5-[2-(6-carbamimidoylnaphthalen-2-yl)ethynyl]-2-methoxy-phenyl]ethylcarbamic acid Openeye Name: 2-[5-[2-(6-carbamimidoyl-2-naphthyl)ethynyl]-2-methoxy-phenyl]ethylcarbamic acid CAS Name: 2-[5-[2-(6-carbamimidoyl-2-naphthalenyl)ethynyl]-2-methoxyphenyl]ethylcarbamic acid IUPAC Name: 2-[5-[2-(6-carbamimidoylnaphthalen-2-yl)ethynyl]-2-methoxyphenyl]ethylcarbamic acid Traditional Name: 2-[5-[2-(6-amidino-2-naphthyl)ethynyl]-2-methoxy-phenyl]ethylcarbamic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)CCNC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)CCNC(=O)O

InChI

InChI=1S/C23H21N3O3/c1-29-21-9-5-16(13-19(21)10-11-26-23(27)28)3-2-15-4-6-18-14-20(22(24)25)8-7-17(18)12-15/h4-9,12-14,26H,10-11H2,1H3,(H3,24,25)(H,27,28)