3-[[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-(2-methylpropyl)amino]propylcarbamic acid

Systemtic Name: 3-[[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-(2-methylpropyl)amino]propylcarbamic acid Openeye Name: 3-[(3-benzyl-7-chloro-4-oxo-chromen-2-yl)-isobutyl-amino]propylcarbamic acid CAS Name: 3-[[7-chloro-4-oxo-3-(phenylmethyl)-1-benzopyran-2-yl]-(2-methylpropyl)amino]propylcarbamic acid IUPAC Name: 3-[(3-benzyl-7-chloro-4-oxochromen-2-yl)-(2-methylpropyl)amino]propylcarbamic acid Traditional Name: 3-[(3-benzyl-7-chloro-4-keto-chromen-2-yl)-isobutyl-amino]propylcarbamic acid Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCNC(=O)O)C1=C(C(=O)C2=C(O1)C=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CCCNC(=O)O)C1=C(C(=O)C2=C(O1)C=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C24H27ClN2O4/c1-16(2)15-27(12-6-11-26-24(29)30)23-20(13-17-7-4-3-5-8-17)22(28)19-10-9-18(25)14-21(19)31-23/h3-5,7-10,14,16,26H,6,11-13,15H2,1-2H3,(H,29,30)