[2-[3-(4-carbamimidoylphenyl)propanoyl]-1,2,3,4-tetrahydroquinolin-6-yl] N-methyl-N-phenyl-carbamate

Systemtic Name: [2-[3-(4-carbamimidoylphenyl)propanoyl]-1,2,3,4-tetrahydroquinolin-6-yl] N-methyl-N-phenyl-carbamate Openeye Name: [2-[3-(4-carbamimidoylphenyl)propanoyl]-1,2,3,4-tetrahydroquinolin-6-yl] N-methyl-N-phenyl-carbamate CAS Name: N-methyl-N-phenylcarbamic acid [2-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-1,2,3,4-tetrahydroquinolin-6-yl] ester IUPAC Name: [2-[3-(4-carbamimidoylphenyl)propanoyl]-1,2,3,4-tetrahydroquinolin-6-yl] N-methyl-N-phenylcarbamate Traditional Name: N-methyl-N-phenyl-carbamic acid [2-[3-(4-amidinophenyl)propanoyl]-1,2,3,4-tetrahydroquinolin-6-yl] ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)NC(CC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)NC(CC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H28N4O3/c1-31(21-5-3-2-4-6-21)27(33)34-22-13-15-23-20(17-22)12-14-24(30-23)25(32)16-9-18-7-10-19(11-8-18)26(28)29/h2-8,10-11,13,15,17,24,30H,9,12,14,16H2,1H3,(H3,28,29)