[2-(1-ethanimidoylpiperidin-4-yl)oxyphenyl] 3-(7-carbamimidoylnaphthalen-2-yl)propanoate

Systemtic Name: [2-(1-ethanimidoylpiperidin-4-yl)oxyphenyl] 3-(7-carbamimidoylnaphthalen-2-yl)propanoate Openeye Name: [2-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl] 3-(7-carbamimidoyl-2-naphthyl)propanoate CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)propanoic acid [2-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl] ester IUPAC Name: [2-(1-ethanimidoylpiperidin-4-yl)oxyphenyl] 3-(7-carbamimidoylnaphthalen-2-yl)propanoate Traditional Name: 3-(7-amidino-2-naphthyl)propionic acid [2-[(1-acetimidoyl-4-piperidyl)oxy]phenyl] ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=CC=C2OC(=O)CCC3=CC4=C(C=C3)C=CC(=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=CC=C2OC(=O)CCC3=CC4=C(C=C3)C=CC(=C4)C(=N)N

InChI

InChI=1S/C27H30N4O3/c1-18(28)31-14-12-23(13-15-31)33-24-4-2-3-5-25(24)34-26(32)11-7-19-6-8-20-9-10-21(27(29)30)17-22(20)16-19/h2-6,8-10,16-17,23,28H,7,11-15H2,1H3,(H3,29,30)