2-[2-[2-[4-(2-dimethylaminoethyl)phenyl]ethylamino]-5-methyl-4-oxidanylidene-3,1-benzoxazin-6-yl]propan-2-yl-ethyl-carbamic acid

Systemtic Name: 2-[2-[2-[4-(2-dimethylaminoethyl)phenyl]ethylamino]-5-methyl-4-oxidanylidene-3,1-benzoxazin-6-yl]propan-2-yl-ethyl-carbamic acid Openeye Name: [1-[2-[2-[4-(2-dimethylaminoethyl)phenyl]ethylamino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]-1-methyl-ethyl]-ethyl-carbamic acid CAS Name: 2-[2-[2-[4-(2-dimethylaminoethyl)phenyl]ethylamino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]propan-2-yl-ethylcarbamic acid IUPAC Name: 2-[2-[2-[4-(2-dimethylaminoethyl)phenyl]ethylamino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]propan-2-yl-ethylcarbamic acid Traditional Name: [1-[2-[2-[4-(2-dimethylaminoethyl)phenyl]ethylamino]-4-keto-5-methyl-3,1-benzoxazin-6-yl]-1-methyl-ethyl]-ethyl-carbamic acid Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)O)C(C)(C)C1=C(C2=C(C=C1)N=C(OC2=O)NCCC3=CC=C(C=C3)CCN(C)C)C

Isomeric SMILES

CCN(C(=O)O)C(C)(C)C1=C(C2=C(C=C1)N=C(OC2=O)NCCC3=CC=C(C=C3)CCN(C)C)C

InChI

InChI=1S/C27H36N4O4/c1-7-31(26(33)34)27(3,4)21-12-13-22-23(18(21)2)24(32)35-25(29-22)28-16-14-19-8-10-20(11-9-19)15-17-30(5)6/h8-13H,7,14-17H2,1-6H3,(H,28,29)(H,33,34)