methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C31H34N4O5 MolecularWeight: 542.62546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=C(C=C(C=C4)C(=O)OC)C(=N)N

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=C(C=C(C=C4)C(=O)OC)C(=N)N

InChI

InChI=1S/C31H34N4O5/c1-3-40-29(37)20-35(24-9-5-4-6-10-24)25-14-15-27-22(18-25)8-7-17-34(27)28(36)16-13-21-11-12-23(31(38)39-2)19-26(21)30(32)33/h4-6,9-12,14-15,18-19H,3,7-8,13,16-17,20H2,1-2H3,(H3,32,33)