2-methyl-1-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methoxy]phenyl]carbonyl-indole-4-carboxylic acid

Systemtic Name: 2-methyl-1-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methoxy]phenyl]carbonyl-indole-4-carboxylic acid Openeye Name: 2-methyl-1-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methoxy]benzoyl]indole-4-carboxylic acid CAS Name: 2-methyl-1-[[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methoxy]phenyl]-oxomethyl]-4-indolecarboxylic acid IUPAC Name: 2-methyl-1-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methoxy]benzoyl]indole-4-carboxylic acid Traditional Name: 2-methyl-1-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methoxy]benzoyl]indole-4-carboxylic acid Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CN(C5=CC=CC=C5O4)C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CN(C5=CC=CC=C5O4)C)C(=O)O

InChI

InChI=1S/C27H24N2O5/c1-17-14-22-21(27(31)32)6-5-8-23(22)29(17)26(30)18-10-12-19(13-11-18)33-16-20-15-28(2)24-7-3-4-9-25(24)34-20/h3-14,20H,15-16H2,1-2H3,(H,31,32)