octyl 3-carbamimidoyl-4-[3-[6-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-3,4-dihydro-2H-quinolin-1-yl]-3-oxidanylidene-propyl]benzoate

Systemtic Name: octyl 3-carbamimidoyl-4-[3-[6-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-3,4-dihydro-2H-quinolin-1-yl]-3-oxidanylidene-propyl]benzoate Openeye Name: octyl 3-carbamimidoyl-4-[3-[6-(N-(2-ethoxy-2-oxo-ethyl)anilino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxo-propyl]benzoate CAS Name: 3-carbamimidoyl-4-[3-[6-(N-(2-ethoxy-2-oxoethyl)anilino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzoic acid octyl ester IUPAC Name: octyl 3-carbamimidoyl-4-[3-[6-(N-(2-ethoxy-2-oxoethyl)anilino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzoate Traditional Name: 3-amidino-4-[3-[6-(N-(2-ethoxy-2-keto-ethyl)anilino)-3,4-dihydro-2H-quinolin-1-yl]-3-keto-propyl]benzoic acid octyl ester Formula: C38H48N4O5 MolecularWeight: 640.81152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=C(C=C1)CCC(=O)N2CCCC3=C2C=CC(=C3)N(CC(=O)OCC)C4=CC=CC=C4)C(=N)N

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=C(C=C1)CCC(=O)N2CCCC3=C2C=CC(=C3)N(CC(=O)OCC)C4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C38H48N4O5/c1-3-5-6-7-8-12-24-47-38(45)30-18-17-28(33(26-30)37(39)40)19-22-35(43)41-23-13-14-29-25-32(20-21-34(29)41)42(27-36(44)46-4-2)31-15-10-9-11-16-31/h9-11,15-18,20-21,25-26H,3-8,12-14,19,22-24,27H2,1-2H3,(H3,39,40)