[4-[[1-butyl-4-(3-methoxyphenyl)-2-oxidanylidene-1,8-naphthyridin-3-yl]carbamoylamino]-3,5-di(propan-2-yl)phenyl] 3-chloranylbenzoate

Systemtic Name: [4-[[1-butyl-4-(3-methoxyphenyl)-2-oxidanylidene-1,8-naphthyridin-3-yl]carbamoylamino]-3,5-di(propan-2-yl)phenyl] 3-chloranylbenzoate Openeye Name: [4-[[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamoylamino]-3,5-diisopropyl-phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-[[[[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]amino]-oxomethyl]amino]-3,5-di(propan-2-yl)phenyl] ester IUPAC Name: [4-[[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamoylamino]-3,5-di(propan-2-yl)phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-[[1-butyl-2-keto-4-(3-methoxyphenyl)-1,8-naphthyridin-3-yl]carbamoylamino]-3,5-diisopropyl-phenyl] ester Formula: C39H41ClN4O5 MolecularWeight: 681.21964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=C(C=C3C(C)C)OC(=O)C4=CC(=CC=C4)Cl)C(C)C)C5=CC(=CC=C5)OC

Isomeric SMILES

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=C(C=C3C(C)C)OC(=O)C4=CC(=CC=C4)Cl)C(C)C)C5=CC(=CC=C5)OC

InChI

InChI=1S/C39H41ClN4O5/c1-7-8-18-44-36-30(16-11-17-41-36)33(25-12-10-15-28(20-25)48-6)35(37(44)45)43-39(47)42-34-31(23(2)3)21-29(22-32(34)24(4)5)49-38(46)26-13-9-14-27(40)19-26/h9-17,19-24H,7-8,18H2,1-6H3,(H2,42,43,47)