ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-3-(1-methyl-3-indolyl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C26H29N3O5/c1-3-32-26(31)29-12-10-28(11-13-29)25(30)15-20(18-8-9-23-24(14-18)34-17-33-23)21-16-27(2)22-7-5-4-6-19(21)22/h4-9,14,16,20H,3,10-13,15,17H2,1-2H3