2-[7-[(4-carbamimidoylphenyl)methylamino]-1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoate

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)methylamino]-1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoate Openeye Name: 2-[7-[(4-carbamimidoylphenyl)methylamino]-1-ethyl-tetralin-2-yl]acetate CAS Name: 2-[7-[(4-carbamimidoylphenyl)methylamino]-1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl]acetate IUPAC Name: 2-[7-[(4-carbamimidoylphenyl)methylamino]-1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzyl)amino]-1-ethyl-tetralin-2-yl]acetate Formula: C22H26N3O2- MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCC2=C1C=C(C=C2)NCC3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

Isomeric SMILES

CCC1C(CCC2=C1C=C(C=C2)NCC3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

InChI

InChI=1S/C22H27N3O2/c1-2-19-17(11-21(26)27)8-7-15-9-10-18(12-20(15)19)25-13-14-3-5-16(6-4-14)22(23)24/h3-6,9-10,12,17,19,25H,2,7-8,11,13H2,1H3,(H3,23,24)(H,26,27)/p-1