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

Systemtic Name: ethyl 4-[(3-carbamimidoylphenyl)methyl]-1-(naphthalen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-[(3-carbamimidoylphenyl)methyl]-1-(2-naphthylmethyl)pyrrole-3-carboxylate CAS Name: 4-[(3-carbamimidoylphenyl)methyl]-1-(2-naphthalenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-carbamimidoylphenyl)methyl]-1-(naphthalen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-(3-amidinobenzyl)-1-(2-naphthylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1CC2=CC=CC(=C2)C(=N)N)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CN(C=C1CC2=CC=CC(=C2)C(=N)N)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H25N3O2/c1-2-31-26(30)24-17-29(15-19-10-11-20-7-3-4-8-21(20)14-19)16-23(24)13-18-6-5-9-22(12-18)25(27)28/h3-12,14,16-17H,2,13,15H2,1H3,(H3,27,28)