ethyl 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]benzoate

Systemtic Name: ethyl 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]benzoate Openeye Name: ethyl 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]benzoate CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]benzoate Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]phenyl]benzoic acid ethyl ester Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C27H27N3O2/c1-3-30-17-20(22-14-13-19(26(28)29)16-25(22)30)15-18-9-5-6-10-21(18)23-11-7-8-12-24(23)27(31)32-4-2/h5-14,16-17H,3-4,15H2,1-2H3,(H3,28,29)