2-methoxycarbonyl-5-(phenylmethoxycarbonylamino)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-7-carboxylic acid

Systemtic Name: 2-methoxycarbonyl-5-(phenylmethoxycarbonylamino)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-7-carboxylic acid Openeye Name: 5-(benzyloxycarbonylamino)-2-methoxycarbonyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-7-carboxylic acid CAS Name: 2-methoxycarbonyl-5-(phenylmethoxycarbonylamino)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-7-carboxylic acid IUPAC Name: 2-methoxycarbonyl-5-(phenylmethoxycarbonylamino)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-7-carboxylic acid Traditional Name: 5-(benzyloxycarbonylamino)-2-carbomethoxy-3,6,7,8-tetrahydropyrrol[3,2-e]indole-7-carboxylic acid Formula: C21H19N3O6 MolecularWeight: 409.39206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C3CC(NC3=C(C=C2N1)NC(=O)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC(=O)C1=CC2=C3CC(NC3=C(C=C2N1)NC(=O)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H19N3O6/c1-29-20(27)17-7-12-13-8-16(19(25)26)23-18(13)15(9-14(12)22-17)24-21(28)30-10-11-5-3-2-4-6-11/h2-7,9,16,22-23H,8,10H2,1H3,(H,24,28)(H,25,26)