ethyl 2-[7-[[4-(N'-prop-2-ynylcarbamimidoyl)phenyl]carbonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoate

Systemtic Name: ethyl 2-[7-[[4-(N'-prop-2-ynylcarbamimidoyl)phenyl]carbonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoate Openeye Name: ethyl 2-[7-[[4-(N'-prop-2-ynylcarbamimidoyl)benzoyl]amino]tetralin-2-yl]acetate CAS Name: 2-[7-[[[4-[amino(prop-2-ynylimino)methyl]phenyl]-oxomethyl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[[4-(N'-prop-2-ynylcarbamimidoyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate Traditional Name: 2-[7-[[4-(N'-propargylamidino)benzoyl]amino]tetralin-2-yl]acetic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=NCC#C)N

Isomeric SMILES

CCOC(=O)CC1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=NCC#C)N

InChI

InChI=1S/C25H27N3O3/c1-3-13-27-24(26)19-7-9-20(10-8-19)25(30)28-22-12-11-18-6-5-17(14-21(18)16-22)15-23(29)31-4-2/h1,7-12,16-17H,4-6,13-15H2,2H3,(H2,26,27)(H,28,30)