8-[(5-methyl-1H-indol-2-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Systemtic Name: 8-[(5-methyl-1H-indol-2-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Openeye Name: 8-[(5-methyl-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid CAS Name: 8-[[(5-methyl-1H-indol-2-yl)-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid IUPAC Name: 8-[(5-methyl-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Traditional Name: 8-[(5-methyl-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC4=C(C(=C3)C(=O)O)OCCCO4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC4=C(C(=C3)C(=O)O)OCCCO4

InChI

InChI=1S/C20H18N2O5/c1-11-3-4-15-12(7-11)8-16(22-15)19(23)21-13-9-14(20(24)25)18-17(10-13)26-5-2-6-27-18/h3-4,7-10,22H,2,5-6H2,1H3,(H,21,23)(H,24,25)