(E)-but-2-enedioic acid; [4-methyl-3-[(phenylmethyl)amino]-2,3-dihydro-1H-cyclopenta[b]indol-7-yl] N-methylcarbamate

Systemtic Name: (E)-but-2-enedioic acid; [4-methyl-3-[(phenylmethyl)amino]-2,3-dihydro-1H-cyclopenta[b]indol-7-yl] N-methylcarbamate Openeye Name: [3-(benzylamino)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-yl] N-methylcarbamate; fumaric acid CAS Name: (E)-2-butenedioic acid; N-methylcarbamic acid [4-methyl-3-[(phenylmethyl)amino]-2,3-dihydro-1H-cyclopenta[b]indol-7-yl] ester IUPAC Name: [3-(benzylamino)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-yl] N-methylcarbamate; (E)-but-2-enedioic acid Traditional Name: fumaric acid; N-methylcarbamic acid [3-(benzylamino)-4-methyl-2,3-dihydro-1H-cyclopent[b]indol-7-yl] ester Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1=CC2=C(C=C1)N(C3=C2CCC3NCC4=CC=CC=C4)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNC(=O)OC1=CC2=C(C=C1)N(C3=C2CCC3NCC4=CC=CC=C4)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H23N3O2.C4H4O4/c1-22-21(25)26-15-8-11-19-17(12-15)16-9-10-18(20(16)24(19)2)23-13-14-6-4-3-5-7-14;5-3(6)1-2-4(7)8/h3-8,11-12,18,23H,9-10,13H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1+