2-(5-methoxy-1H-indol-3-yl)-2-[4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-keto-2-(tetrahydrofurfurylamino)ethyl]piperazino]-2-(5-methoxy-1H-indol-3-yl)acetic acid Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC(=O)NCC4CCCO4

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC(=O)NCC4CCCO4

InChI

InChI=1S/C22H30N4O5/c1-30-15-4-5-19-17(11-15)18(13-23-19)21(22(28)29)26-8-6-25(7-9-26)14-20(27)24-12-16-3-2-10-31-16/h4-5,11,13,16,21,23H,2-3,6-10,12,14H2,1H3,(H,24,27)(H,28,29)