2-[2-methyl-1-[4-[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonyl]amino]phenyl]carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonyl]amino]phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-[methyl-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[[4-[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]phenyl]-oxomethyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-[methyl-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-[methyl-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoyl]indol-4-yl]acetic acid Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)N(C)C(=O)C4CN(C5=CC=CC=C5O4)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)N(C)C(=O)C4CN(C5=CC=CC=C5O4)C)CC(=O)O

InChI

InChI=1S/C29H27N3O5/c1-18-15-22-20(16-27(33)34)7-6-9-23(22)32(18)28(35)19-11-13-21(14-12-19)31(3)29(36)26-17-30(2)24-8-4-5-10-25(24)37-26/h4-15,26H,16-17H2,1-3H3,(H,33,34)