O1-[2-(oxidanylidenemethylidene)pyrrolidin-1-yl] O4-pyrrolidin-1-yl 2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]butanedioate

Systemtic Name: O1-[2-(oxidanylidenemethylidene)pyrrolidin-1-yl] O4-pyrrolidin-1-yl 2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]butanedioate Openeye Name: O1-[2-(oxomethylene)pyrrolidin-1-yl] O4-pyrrolidin-1-yl 2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]butanedioate CAS Name: 2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]butanedioic acid O1-[2-(oxomethylidene)-1-pyrrolidinyl] ester O4-(1-pyrrolidinyl) ester IUPAC Name: 1-O-[2-(oxomethylidene)pyrrolidin-1-yl] 4-O-pyrrolidin-1-yl 2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]butanedioate Traditional Name: 2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]succinic acid O1-[2-(ketomethylene)pyrrolidino] ester O4-pyrrolidino ester Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(CC(=O)ON3CCCC3)C(=O)ON4CCCC4=C=O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(CC(=O)ON3CCCC3)C(=O)ON4CCCC4=C=O

InChI

InChI=1S/C26H33N5O5/c1-2-30-21(14-18-7-8-19(25(27)28)15-23(18)30)10-9-20(16-24(33)35-29-11-3-4-12-29)26(34)36-31-13-5-6-22(31)17-32/h7-8,14-15,20H,2-6,9-13,16H2,1H3,(H3,27,28)