2-[1-tert-butyl-7-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoate

Systemtic Name: 2-[1-tert-butyl-7-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoate Openeye Name: 2-[1-tert-butyl-7-[(4-carbamimidoylphenyl)-methyl-carbamoyl]tetralin-2-yl]acetate CAS Name: 2-[1-tert-butyl-7-[(4-carbamimidoyl-N-methylanilino)-oxomethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate IUPAC Name: 2-[1-tert-butyl-7-[(4-carbamimidoylphenyl)-methylcarbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate Traditional Name: 2-[7-[(4-amidinophenyl)-methyl-carbamoyl]-1-tert-butyl-tetralin-2-yl]acetate Formula: C25H30N3O3- MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-25(2,3)22-17(14-21(29)30)7-5-15-6-8-18(13-20(15)22)24(31)28(4)19-11-9-16(10-12-19)23(26)27/h6,8-13,17,22H,5,7,14H2,1-4H3,(H3,26,27)(H,29,30)/p-1