ditert-butyl 3-[3-[(4-chlorophenyl)methylcarbamoyl]-1-methyl-4-oxidanylidene-quinolin-6-yl]propyl phosphate

Systemtic Name: ditert-butyl 3-[3-[(4-chlorophenyl)methylcarbamoyl]-1-methyl-4-oxidanylidene-quinolin-6-yl]propyl phosphate Openeye Name: ditert-butyl 3-[3-[(4-chlorophenyl)methylcarbamoyl]-1-methyl-4-oxo-6-quinolyl]propyl phosphate CAS Name: phosphoric acid ditert-butyl 3-[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-1-methyl-4-oxo-6-quinolinyl]propyl ester IUPAC Name: ditert-butyl 3-[3-[(4-chlorophenyl)methylcarbamoyl]-1-methyl-4-oxoquinolin-6-yl]propyl phosphate Traditional Name: phosphoric acid ditert-butyl 3-[3-[(4-chlorobenzyl)carbamoyl]-4-keto-1-methyl-6-quinolyl]propyl ester Formula: C29H38ClN2O6P MolecularWeight: 577.048581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OP(=O)(OCCCC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OP(=O)(OCCCC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)OC(C)(C)C

InChI

InChI=1S/C29H38ClN2O6P/c1-28(2,3)37-39(35,38-29(4,5)6)36-16-8-9-20-12-15-25-23(17-20)26(33)24(19-32(25)7)27(34)31-18-21-10-13-22(30)14-11-21/h10-15,17,19H,8-9,16,18H2,1-7H3,(H,31,34)