N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-carboxamide

Systemtic Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-carboxamide Openeye Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide CAS Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide IUPAC Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide Traditional Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-keto-4H-1,4-benzoxazine-6-carboxamide Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H23N3O4/c1-32-18-9-6-16(7-10-18)20(21-14-27-22-5-3-2-4-19(21)22)13-28-26(31)17-8-11-24-23(12-17)29-25(30)15-33-24/h2-12,14,20,27H,13,15H2,1H3,(H,28,31)(H,29,30)/t20-/m0/s1