ethyl 4-(3-carbamimidoylphenyl)-1-(naphthalen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(3-carbamimidoylphenyl)-1-(naphthalen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-(3-carbamimidoylphenyl)-1-(2-naphthylmethyl)pyrrole-3-carboxylate CAS Name: 4-(3-carbamimidoylphenyl)-1-(2-naphthalenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-carbamimidoylphenyl)-1-(naphthalen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-(3-amidinophenyl)-1-(2-naphthylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1C2=CC(=CC=C2)C(=N)N)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CN(C=C1C2=CC(=CC=C2)C(=N)N)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H23N3O2/c1-2-30-25(29)23-16-28(14-17-10-11-18-6-3-4-7-19(18)12-17)15-22(23)20-8-5-9-21(13-20)24(26)27/h3-13,15-16H,2,14H2,1H3,(H3,26,27)